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 Acetyl-CoA carboxylase 1,1263,Q13085,Human,TOFA,5280,,115175,CCCCCCCCCCCCCCOc1ccc(o1)C(=O)O,"InChI=1S/C19H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21/h14-15H,2-13,16H2,1H3,(H,20,21)",CZRCFAOMWRAFIC-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,4.91,,IC50,,12300.0,,=,,,,14612531, Acetyl-CoA carboxylase 1,1263,Q13085,Human,compound 21 [PMID: 23981033],8884,,56968001,COc1ccc2c(n1)cc(cc2)C(=O)N1CCC2(CC1)NC(=O)c1c(C2)cn(n1)C(C)(C)C,"InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-22(31)21(18)28-30)9-11-29(12-10-25)23(32)17-6-5-16-7-8-20(33-4)26-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,27,31)",ZXUGLISADYYLBK-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.0,,IC50,,10.0,,=,,,,23981033, Acetyl-CoA carboxylase 1,1263,Q13085,Human,firsocostat,10645,,71528744,COc1ccccc1[C@H](Cn1c(=O)n(c(=O)c2c1sc(c2C)c1ncco1)C(C(=O)O)(C)C)OC1CCOCC1,"InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1",ZZWWXIBKLBMSCS-FQEVSTJZSA-N,Allosteric modulator,Negative,,,,,pIC50,,8.68,,IC50,,2.1,,=,,,,26976583, Acetyl-CoA carboxylase 1,1263,Q13085,Human,clesacostat,12242,,57496611,CC(C)n1c2c(CC3(CCN(CC3)C(=O)c3cc(nc(c3)OC)c3ccc(cc3)C(=O)O)CC2=O)cn1,"InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)",LXZMHBHEXAELHH-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.91,,IC50,,12.4,,=,,,,32809824, Acetyl-CoA carboxylase 1,1263,Q13085,Human,CP-640186,12243,,449097,C1C[C@H](CN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)C(=O)N1CCOCC1,"InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1",LDQKDRLEMKIYMC-XMMPIXPASA-N,Inhibitor,Inhibition,,,,,pIC50,,6.39,,IC50,,410.0,,=,,,,16973360, Acetyl-CoA carboxylase 1,1263,P11497,Rat,CP-640186,12243,,449097,C1C[C@H](CN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)C(=O)N1CCOCC1,"InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1",LDQKDRLEMKIYMC-XMMPIXPASA-N,Inhibitor,Inhibition,,,,,pIC50,,7.28,,IC50,,53.0,,=,,,,19853443,