BDBM50387859 CHEMBL2057520

SMILES: CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1

InChI Key: InChIKey=VSKXCMMQATYJBE-BJKOFHAPSA-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 = 50387859   

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))	BDBM50387859 (CHEMBL2057520) Show SMILES CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r| Show InChI InChI=1S/C28H33N5O5S/c1-4-32(3)27-30-22-12-11-20(14-25(22)38-27)26(35)33(5-2)16-24(34)23(13-19-9-7-6-8-10-19)31-28(36)37-17-21-15-29-18-39-21/h6-12,14-15,18,23-24,34H,4-5,13,16-17H2,1-3H3,(H,31,36)/t23-,24+/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	79	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