Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50138602   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisomal acyl-coenzyme A oxidase 1 (Rattus norvegicus)	BDBM50138602 (CHEMBL152968 | N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation.				Bioorg Med Chem Lett 14: 549-52 (2003) BindingDB Entry DOI: 10.7270/Q2GH9HD4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50138602 (CHEMBL152968 | N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 1A2 of isolated guinea pig heart				Bioorg Med Chem Lett 14: 549-52 (2003) BindingDB Entry DOI: 10.7270/Q2GH9HD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50138602 (CHEMBL152968 | N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 2C9 of isolated guinea pig heart				Bioorg Med Chem Lett 14: 549-52 (2003) BindingDB Entry DOI: 10.7270/Q2GH9HD4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50138602 (CHEMBL152968 | N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4 of isolated guinea pig heart				Bioorg Med Chem Lett 14: 549-52 (2003) BindingDB Entry DOI: 10.7270/Q2GH9HD4
					More data for this Ligand-Target Pair