BDBM50330008 1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl 4-(hydroxymethyl)piperidine-1-carboxylate::CHEMBL1271601

SMILES: CC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CO)CC1

InChI Key: InChIKey=GHHUJPFVTHAWJJ-LEWJYISDSA-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 = 50330008   

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))	BDBM50330008 (1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-isopropylm...) Show SMILES CC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CO)CC1 |r| Show InChI InChI=1S/C23H33ClN2O6S/c1-16(2)20-14-31-15-21(26(20)33(29,30)19-5-3-18(24)4-6-19)23(9-10-23)32-22(28)25-11-7-17(13-27)8-12-25/h3-6,16-17,20-21,27H,7-15H2,1-2H3/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13.8	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