BDBM50310768 Bis-N-[(S)-2-(thiazol-5-ylmethoxycarbonylamino)-3-phenylpropyl]-N-[2-imidazolylmethyl]amine::CHEMBL1077940

SMILES: O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cnc[nH]1)Cc1ccccc1)OCc1cncs1

InChI Key: InChIKey=GSCQTFZOCSWXSI-SVBPBHIXSA-N

Data: 1 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 1 hit for monomerid = 50310768   

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
Cytochrome P450 3A (Homo sapiens (Human))	BDBM50310768 (Bis-N-[(S)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cnc[nH]1)Cc1ccccc1)OCc1cncs1 Show InChI InChI=1S/C32H35N7O4S2/c40-31(42-20-29-16-34-23-45-29)37-26(13-24-7-3-1-4-8-24)17-39(19-28-15-33-22-36-28)18-27(14-25-9-5-2-6-10-25)38-32(41)43-21-30-35-11-12-44-30/h1-12,15-16,22-23,26-27H,13-14,17-21H2,(H,33,36)(H,37,40)(H,38,41)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair