ChEMBL ligand: CHEMBL895 (Intapan, Nalbufina, Nalbuphine, Nubain)
δ receptor/Delta opioid receptor in Human [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143] There should be some charts here, you may need to enable JavaScript!
GroEL/GroES in Escherichia coli [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] There should be some charts here, you may need to enable JavaScript!
HSP60/HSP10 in Human [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604] There should be some charts here, you may need to enable JavaScript!
κ receptor/Kappa opioid receptor in Human [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145] κ receptor in Mouse [GtoPdb: 318] [UniProtKB: P33534] There should be some charts here, you may need to enable JavaScript!
μ receptor/Mu opioid receptor in Human [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
δ receptor/Delta opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143]
ChEMBL	DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)	B	6.18	pKi	665	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting	B	6.24	pKi	580	nM	Ki	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
GtoPdb	-	-	6.24	pKi	580	nM	Ki	Bioorg Med Chem Lett (2009) 19: 2289-94 [PMID:19282177]
ChEMBL	Binding of PEG-Nalbuphine assays: Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed using GraphPad Prism 4.0 and IC50 is generated by non-linear regression from dose-response curves. Ki values were calculated using the Cheng Prusoff equation using the Kd values from saturation isotherms as follows: Ki=IC50/(1+[Ligand]/Kd).	B	6.5	pKi	318.85	nM	Ki	US-9233167-B2. Oligomer-opioid agonist conjugates (2016)
ChEMBL	Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells	B	6.62	pKi	240	nM	Ki	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]
ChEMBL	DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)	B	5.72	pIC50	1886	nM	IC50	DrugMatrix in vitro pharmacology data
ChEMBL	Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand	B	6.45	pIC50	353	nM	IC50	J Med Chem (2001) 44: 3378-3390 [PMID:11585443]
GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6]
ChEMBL	Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis	B	4	pIC50	>100000	nM	IC50	Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604]
ChEMBL	Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis	B	4	pIC50	>100000	nM	IC50	Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145]
ChEMBL	DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)	B	7.36	pKi	44	nM	Ki	DrugMatrix in vitro pharmacology data
GtoPdb	-	-	7.5	pKi	-	-	-	J Pharmacol Exp Ther (1997) 282: 676-84 [PMID:9262330]
ChEMBL	Binding of PEG-Nalbuphine assays: Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed using GraphPad Prism 4.0 and IC50 is generated by non-linear regression from dose-response curves. Ki values were calculated using the Cheng Prusoff equation using the Kd values from saturation isotherms as follows: Ki=IC50/(1+[Ligand]/Kd).	B	7.52	pKi	29.95	nM	Ki	US-9233167-B2. Oligomer-opioid agonist conjugates (2016)
ChEMBL	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting	B	8.52	pKi	3	nM	Ki	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
ChEMBL	Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells	B	8.66	pKi	2.2	nM	Ki	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]
ChEMBL	DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)	B	6.95	pIC50	111	nM	IC50	DrugMatrix in vitro pharmacology data
ChEMBL	Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand	B	7.08	pIC50	83	nM	IC50	J Med Chem (2001) 44: 3378-3390 [PMID:11585443]
ChEMBL	Agonist activity at human KOPR expressed in U2OS cells assessed as beta-arrestin2 recruitment after 90 mins by DiscoveRx PathHunter assay	F	6.6	pEC50	250	nM	EC50	Bioorg Med Chem Lett (2012) 22: 1023-1026 [PMID:22204910]
ChEMBL	Agonist activity at human KOPR expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by liquid scintillation counting	F	7.19	pEC50	65	nM	EC50	Bioorg Med Chem Lett (2012) 22: 1023-1026 [PMID:22204910]
ChEMBL	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	F	7.25	pEC50	56	nM	EC50	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
ChEMBL	Agonist activity at human opioid kappa receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	F	7.57	pEC50	27	nM	EC50	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]
ChEMBL	GTPyS binding assay: Test compound and/or vehicle was preincubated with the cell membranes and 3 uM GDP in modified HEPES buffer (pH 7.4) for 20 minutes, followed by addition of SPA beads for another 60 minutes at 30° C. The reaction is initiated by 0.3 nM [35S]GTP gamma S for an additional 30 minutes incubation period. Test compound-induced increase of [35S]GTP gamma S binding by 50 percent or more (250%) relative to the receptor subtype-specific agonist response indicates possible opiate receptor agonist activity. 0.1 uM DPDPE, 1 uM U-69593 and 1 uM DAMGO were used as the specific agonists for the delta, kappa and mu opioid receptors respectively. Opioid receptor antagonist activity was measured using inhibition of agonist-induced increase of [35S]GTP gammaS binding response by 50 percent or more (250%). Nalbuphine, 6-O-mPEG3-Nalbuphine, 6-O-mPEG6-Nalbuphine, 6-O-mPEG9-Nalbuphine were screened at concentrations of 10, 1, 0.1, 0.01 and 0.001 uM in both agonist and antagonist mode. EC50 or IC50 values were calculated from the dose-response curves as a measure of the agonist or antagonist activity of the test compounds respectively.	B	7.6	pEC50	25.1	nM	EC50	US-9233167-B2. Oligomer-opioid agonist conjugates (2016)
κ receptor in Mouse [GtoPdb: 318] [UniProtKB: P33534]
GtoPdb	-	-	7.4	pIC50	-	-	-	Proc Natl Acad Sci USA (1993) 90: 6736-40 [PMID:8393575]
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
ChEMBL	Binding of PEG-Nalbuphine assays: Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed using GraphPad Prism 4.0 and IC50 is generated by non-linear regression from dose-response curves. Ki values were calculated using the Cheng Prusoff equation using the Kd values from saturation isotherms as follows: Ki=IC50/(1+[Ligand]/Kd).	B	7.84	pKi	14.31	nM	Ki	US-9233167-B2. Oligomer-opioid agonist conjugates (2016)
ChEMBL	DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)	B	8	pKi	9.93	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting	B	8.8	pKi	1.6	nM	Ki	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
GtoPdb	-	-	8.8	pKi	1.6	nM	Ki	Bioorg Med Chem Lett (2009) 19: 2289-94 [PMID:19282177]
ChEMBL	Displacement of [3H]DAMGO from human opioid gamma receptor expressed in CHO cells	B	9.05	pKi	0.89	nM	Ki	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]
ChEMBL	GTPyS binding assay: Test compound and/or vehicle was preincubated with the cell membranes and 3 uM GDP in modified HEPES buffer (pH 7.4) for 20 minutes, followed by addition of SPA beads for another 60 minutes at 30° C. The reaction is initiated by 0.3 nM [35S]GTP gamma S for an additional 30 minutes incubation period. Test compound-induced increase of [35S]GTP gamma S binding by 50 percent or more (250%) relative to the receptor subtype-specific agonist response indicates possible opiate receptor agonist activity. 0.1 uM DPDPE, 1 uM U-69593 and 1 uM DAMGO were used as the specific agonists for the delta, kappa and mu opioid receptors respectively. Opioid receptor antagonist activity was measured using inhibition of agonist-induced increase of [35S]GTP gammaS binding response by 50 percent or more (250%). Nalbuphine, 6-O-mPEG3-Nalbuphine, 6-O-mPEG6-Nalbuphine, 6-O-mPEG9-Nalbuphine were screened at concentrations of 10, 1, 0.1, 0.01 and 0.001 uM in both agonist and antagonist mode. EC50 or IC50 values were calculated from the dose-response curves as a measure of the agonist or antagonist activity of the test compounds respectively.	B	6.12	pIC50	752	nM	IC50	US-9233167-B2. Oligomer-opioid agonist conjugates (2016)
ChEMBL	Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding	F	6.96	pIC50	110	nM	IC50	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]
ChEMBL	Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding	F	7.02	pIC50	96	nM	IC50	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
ChEMBL	DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)	B	7.62	pIC50	24	nM	IC50	DrugMatrix in vitro pharmacology data
ChEMBL	Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand	B	9	pIC50	1	nM	IC50	J Med Chem (2001) 44: 3378-3390 [PMID:11585443]
ChEMBL	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	F	7.34	pEC50	46	nM	EC50	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
ChEMBL	Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding	F	7.85	pEC50	14	nM	EC50	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]