target,target_id,target_uniprot,target_species,ligand,ligand_id,ligand_species,ligand_pubchem_cid,smiles,inchi,inchikey,type,action,action_comment,endogenous,primary_target,concentration_range,affinity_parameter,affinity_high,affinity_median,affinity_low,original_affinity_units,original_affinity_low_nm,original_affinity_median_nm,original_affinity_high_nm,original_affinity_relation,assay_description,receptor_site,ligand_context,pubmed_id HCA2 receptor,312,Q8TDS4,Human,butyric acid,1059,,264,CCCC(=O)O,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",FERIUCNNQQJTOY-UHFFFAOYSA-N,Agonist,Agonist,,yes,,,pEC50,,2.8,,,,,,=,,,,, HCA2 receptor,312,Q8TDS4,Human,nicotinic acid,1588,,938,OC(=O)c1cccnc1,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",PVNIIMVLHYAWGP-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,7.2,,6.0,EC50,1000.0,,63.1,=,,,,12522134|12563315|12646212, HCA2 receptor,312,Q8TDS4,Human,"(+)-5-(5-bromothiophen-3-yl)-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid",1589,,11483496,Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O,"InChI=1S/C10H7BrO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)",WJDLYZAOTHNUJX-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,,7.3,,,,,,,,,,17358052|15929991, HCA2 receptor,312,Q8TDS4,Human,3-pyridine-acetic acid,1590,,108,OC(=O)Cc1cccnc1,"InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)",WGNUNYPERJMVRM-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,,5.3,,,,,,,,,,12522134, HCA2 receptor,312,Q80Z39,Rat,5-butyl-1H-pyrazole-3-carboxylic acid,1591,,6485181,CCCCc1cc(n[nH]1)C(=O)O,"InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)",ZJTXSGLJNBAMJS-UHFFFAOYSA-N,Agonist,Partial agonist,,,,,pKi,,7.1,,,,,,,,,,12930155, HCA2 receptor,312,Q8TDS4,Human,5-methyl nicotinic acid,1592,,256208,Cc1cc(cnc1)C(=O)O,"InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)",DJDHHXDFKSLEQY-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,,5.1,,,,,,,,,,12522134, HCA2 receptor,312,Q8TDS4,Human,β-D-hydroxybutyric acid,1593,,92135,C[C@H](CC(=O)O)O,"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1",WHBMMWSBFZVSSR-GSVOUGTGSA-N,Agonist,Full agonist,,yes,,,pEC50,,3.1,,,,,,=,,,,15929991, HCA2 receptor,312,Q9EP66,Mouse,β-D-hydroxybutyric acid,1593,,92135,C[C@H](CC(=O)O)O,"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1",WHBMMWSBFZVSSR-GSVOUGTGSA-N,Agonist,Full agonist,,yes,,,pEC50,,3.5,,,,,,,,,,15929991, HCA2 receptor,312,Q8TDS4,Human,[3H]nicotinic acid,1594,,938,OC(=O)c1cccnc1,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",PVNIIMVLHYAWGP-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKd,7.3,,7.0,Kd,100.0,,50.1,=,,,,12522134|12563315|12646212, HCA2 receptor,312,Q8TDS4,Human,acifran,1595,,51576,OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1,"InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)",DFDGRKNOFOJBAJ-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,5.9,,5.7,,,,,,,,,12522134|16389067|17358052|15929991, HCA2 receptor,312,Q8TDS4,Human,acipimox,1596,,5310993,[O-][n+]1cc(ncc1C)C(=O)O,"InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)",DJQOOSBJCLSSEY-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,5.6,,5.2,EC50,6310.0,,2510.0,=,,,,12522134|12646212, HCA2 receptor,312,Q8TDS4,Human,cinnamic acid,3203,,444539,OC(=O)/C=C/c1ccccc1,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",WBYWAXJHAXSJNI-VOTSOKGWSA-N,Agonist,Full agonist,,,,,pEC50,,3.62,,EC50,,240000.0,,=,,,,19136666, HCA2 receptor,312,Q8TDS4,Human,MK 0354,5784,,11159621,n1[nH]nc(n1)c1n[nH]c2c1CCC2,"InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)",LTQYSJKGRPGMPO-UHFFFAOYSA-N,Agonist,Partial agonist,,,,,pEC50,,5.78,,EC50,,1650.0,,=,,,,18665582, HCA2 receptor,312,Q8TDS4,Human,MK 1903,5785,,11607970,OC(=O)c1n[nH]c2c1CC1C2C1,"InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)",CUTZNERBKDMLAP-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,,7.56,,EC50,,27.5,,=,,,,22435740, HCA2 receptor,312,Q8TDS4,Human,monomethyl fumarate,5786,,5369209,COC(=O)/C=C/C(=O)O,"InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+",NKHAVTQWNUWKEO-NSCUHMNNSA-N,Agonist,Full agonist,,,,,pEC50,,5.03,,EC50,,9400.0,,=,,,,18722346, HCA2 receptor,312,Q8TDS4,Human,monomethyl fumarate,5786,,5369209,COC(=O)/C=C/C(=O)O,"InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+",NKHAVTQWNUWKEO-NSCUHMNNSA-N,Agonist,Full agonist,,,,,pKi,,6.74,,Ki,,180.0,,=,,,,21167710, HCA2 receptor,312,Q8TDS4,Human,para-coumaric acid,5787,,637542,OC(=O)/C=C/c1ccc(cc1)O,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",NGSWKAQJJWESNS-ZZXKWVIFSA-N,Agonist,Full agonist,,,,,pEC50,,3.51,,EC50,,310000.0,,=,,,,19136666, HCA2 receptor,312,Q8TDS4,Human,MK 6892,5788,,73755154,Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C,"InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)",CJHXBFSJXDUJHP-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,,7.8,,EC50,,16.0,,=,,,,20184326, HCA2 receptor,312,Q8TDS4,Human,MK 6892,5788,,73755154,Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C,"InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)",CJHXBFSJXDUJHP-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,,8.4,,Ki,,4.0,,=,,,,20184326, HCA2 receptor,312,Q8TDS4,Human,compound 21 [PMID: 21185185],5789,,53238781,C[C@@H]1CCC(=C(C1)NC(=O)[C@H](Cc1onc(n1)c1ccc(cn1)F)N)C(=O)O,"InChI=1S/C18H20FN5O4/c1-9-2-4-11(18(26)27)14(6-9)22-17(25)12(20)7-15-23-16(24-28-15)13-5-3-10(19)8-21-13/h3,5,8-9,12H,2,4,6-7,20H2,1H3,(H,22,25)(H,26,27)/t9-,12+/m1/s1",CDYGJIFOATYSNF-SKDRFNHKSA-N,Agonist,Full agonist,,,,,pIC50,,7.92,,IC50,,12.0,,=,,,,21185185, HCA2 receptor,312,Q8TDS4,Human,compound (+)17a [PMID: 20363624],5790,,11672811,n1nnc([nH]1)c1n[nH]c2c1CC1C2C1,"InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)",DKSPRNJUDCWTID-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,,7.35,,EC50,,45.0,,=,,,,20363624, HCA2 receptor,312,Q8TDS4,Human,compound 2g [PMID: 19309152],5791,,11494579,O=C(Nc1ccccc1C(=O)O)CCc1cnn2c1CCc1c2ccc(c1)O,"InChI=1S/C21H19N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h1-4,7,9,11-12,25H,5-6,8,10H2,(H,23,26)(H,27,28)",PCUNTWOSLIUDRR-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pIC50,,7.89,,IC50,,13.0,,=,,,,19309152, HCA2 receptor,312,Q8TDS4,Human,compound 1q [PMID: 18029181],5792,,135401973,Oc1ccc2c(c1)ncc(n2)N1CCN(CC1)C(=O)Nc1ccccc1C(=O)O,"InChI=1S/C20H19N5O4/c26-13-5-6-16-17(11-13)21-12-18(22-16)24-7-9-25(10-8-24)20(29)23-15-4-2-1-3-14(15)19(27)28/h1-6,11-12,26H,7-10H2,(H,23,29)(H,27,28)",YBFBENHWPRGUMU-UHFFFAOYSA-N,Agonist,Partial agonist,,,,,pIC50,,6.85,,IC50,,140.0,,=,,,,18029181, HCA2 receptor,312,Q8TDS4,Human,compound 8f [PMID: 20615702],5793,,12003694,OC(=O)c1n[nH]c2c1CC(C2)c1ccnn1C,"InChI=1S/C11H12N4O2/c1-15-9(2-3-12-15)6-4-7-8(5-6)13-14-10(7)11(16)17/h2-3,6H,4-5H2,1H3,(H,13,14)(H,16,17)",ZAJBYTSUTBCMRM-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pIC50,,6.41,,IC50,,390.0,,=,,,,20615702, HCA2 receptor,312,Q8TDS4,Human,compound 42 [PMID: 22420767],5794,,73755156,ClC1CCC(CC1Cl)c1cnn2c1ncc(c2C)C(=O)NCCOc1ccccc1,"InChI=1S/C22H24Cl2N4O2/c1-14-17(22(29)25-9-10-30-16-5-3-2-4-6-16)12-26-21-18(13-27-28(14)21)15-7-8-19(23)20(24)11-15/h2-6,12-13,15,19-20H,7-11H2,1H3,(H,25,29)",BHDJYYFELGTSTL-UHFFFAOYSA-N,Allosteric modulator,Positive,,,,,pEC50,,5.59,,EC50,,2600.0,,=,,,,22420767, HCA2 receptor,312,Q8TDS4,Human,compound 9n [PMID: 18752940],5795,,25101223,C[C@@H](NC(=O)c1cnc2n(c1C)ncc2c1ccc(cc1)C(C)C)COc1ccccc1,"InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1",DJSWNINDPRRCLC-GOSISDBHSA-N,Allosteric modulator,Positive,,,,,pEC50,,6.77,,EC50,,170.0,,=,,,,18752940, HCA2 receptor,312,Q8TDS4,Human,SCH 900271,8469,,56950369,O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O,"InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)",ARJKMWXLIHZLQZ-UHFFFAOYSA-N,Agonist,Agonist,,,,,pEC50,,8.7,,,,,,=,,,,24900372, HCA2 receptor,312,Q8TDS4,Human,GSK256073,8470,,46215799,CCCCCn1c(=O)[nH]c(=O)c2c1nc([nH]2)Cl,"InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)",CGAMDQCXAAOFSR-UHFFFAOYSA-N,Agonist,Agonist,,,,,pEC50,,7.5,,,,,,=,,,,25773497,