BDBM50387838 CHEMBL2057522

SMILES: O[C@H](CN(CC1CCCCC1)C(=O)c1ccc2nc(oc2c1)N1CCCC1)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1

InChI Key: InChIKey=ONFQJVPTMPUNDQ-XZWHSSHBSA-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 = 50387838   

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 3A4 (Homo sapiens (Human))	BDBM50387838 (CHEMBL2057522) Show SMILES O[C@H](CN(CC1CCCCC1)C(=O)c1ccc2nc(oc2c1)N1CCCC1)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r| Show InChI InChI=1S/C34H41N5O5S/c40-30(29(17-24-9-3-1-4-10-24)37-34(42)43-22-27-19-35-23-45-27)21-39(20-25-11-5-2-6-12-25)32(41)26-13-14-28-31(18-26)44-33(36-28)38-15-7-8-16-38/h1,3-4,9-10,13-14,18-19,23,25,29-30,40H,2,5-8,11-12,15-17,20-22H2,(H,37,42)/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by LC/MS/MS analysis				Bioorg Med Chem Lett 22: 4998-5002 (2012) Article DOI: 10.1016/j.bmcl.2012.06.022 BindingDB Entry DOI: 10.7270/Q22Z16KC
					More data for this Ligand-Target Pair