BDBM50330015 ((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(1-methylcyclopropyl)morpholin-3-yl)methyl1,4'-bipiperidine-1'-carboxylate::CHEMBL1271821

SMILES: CC1(CC1)[C@@H]1COC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=UMWLKNMSOMCHSO-VWNXMTODSA-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 = 50330015   

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))	BDBM50330015 (((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(1-methylcyc...) Show SMILES CC1(CC1)[C@@H]1COC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H38ClN3O5S/c1-26(11-12-26)24-19-34-17-22(30(24)36(32,33)23-7-5-20(27)6-8-23)18-35-25(31)29-15-9-21(10-16-29)28-13-3-2-4-14-28/h5-8,21-22,24H,2-4,9-19H2,1H3/t22-,24+/m1/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Lab. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 after 30 mins				Bioorg Med Chem Lett 20: 6606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.028 BindingDB Entry DOI: 10.7270/Q2RF5V79
					More data for this Ligand-Target Pair