BDBM181793 US9144538, Diltazem

SMILES: CCOO[C@@H]1[C@@H](Sc2ccccc2N(CCN(C)C)C1=O)c1ccc(OC)cc1

InChI Key: InChIKey=UBMDAHUYAHKXDV-RTWAWAEBSA-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 = 181793   

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))	BDBM181793 (US9144538, Diltazem) Show SMILES CCOO[C@@H]1[C@@H](Sc2ccccc2N(CCN(C)C)C1=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C22H28N2O4S/c1-5-27-28-20-21(16-10-12-17(26-4)13-11-16)29-19-9-7-6-8-18(19)24(22(20)25)15-14-23(2)3/h6-13,20-21H,5,14-15H2,1-4H3/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...				US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV
					More data for this Ligand-Target Pair