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 CYP2A6,1321,P11509,Human,esculetin,5180,,5281416,O=c1ccc2c(o1)cc(c(c2)O)O,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",ILEDWLMCKZNDJK-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.41,,IC50,,390.0,,=,,,,31163215, CYP2A6,1321,P11509,Human,compound 39a [PMID: 15634016],8754,,11332763,NCc1ccc(o1)c1cccnc1,"InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2",LENAVORGWBTPJR-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,7.4,,Ki,,40.0,,=,,,,15634016, CYP2A6,1321,P11509,Human,compound 38a [PMID: 15634016],8755,,11206290,NCc1ccc(s1)c1cccnc1,"InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2",JHLIGYPHPBLDDL-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,7.7,,Ki,,20.0,,=,,,,15634016, CYP2A6,1321,P11509,Human,compound 23 [PMID: 17125252],8756,,11993875,NCc1ccc(s1)c1ccccc1,"InChI=1S/C11H11NS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2",PKRPFYKLLXGKDE-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,6.22,,Ki,,600.0,,=,,,,17125252,