BDBM50138598 CHEMBL153741::N-Biphenyl-4-yl-2-{4-[(R)-2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-acetamide

SMILES: Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(cc4)-c4ccccc4)CC3)ccc2s1

InChI Key: InChIKey=SYEUUCQERNUTBQ-RUZDIDTESA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50138598   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Palmitoyl-CoA oxidase (Rattus norvegicus)	BDBM50138598 (CHEMBL153741 | N-Biphenyl-4-yl-2-{4-[(R)-2-hydroxy...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(cc4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(11-12-28(27)37-21)36-20-25(34)18-32-13-15-33(16-14-32)19-29(35)31-24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-12,17,25,34H,13-16,18-20H2,1H3,(H,31,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	460	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 2C9 (Homo sapiens (Human))	BDBM50138598 (CHEMBL153741 | N-Biphenyl-4-yl-2-{4-[(R)-2-hydroxy...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(cc4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(11-12-28(27)37-21)36-20-25(34)18-32-13-15-33(16-14-32)19-29(35)31-24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-12,17,25,34H,13-16,18-20H2,1H3,(H,31,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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 1A (Homo sapiens (Human))	BDBM50138598 (CHEMBL153741 | N-Biphenyl-4-yl-2-{4-[(R)-2-hydroxy...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(cc4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(11-12-28(27)37-21)36-20-25(34)18-32-13-15-33(16-14-32)19-29(35)31-24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-12,17,25,34H,13-16,18-20H2,1H3,(H,31,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+4	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 3A4 (Homo sapiens (Human))	BDBM50138598 (CHEMBL153741 | N-Biphenyl-4-yl-2-{4-[(R)-2-hydroxy...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(cc4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(11-12-28(27)37-21)36-20-25(34)18-32-13-15-33(16-14-32)19-29(35)31-24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-12,17,25,34H,13-16,18-20H2,1H3,(H,31,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.90E+3	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