BDBM50314657 (R)-3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-methylphenoxy)propyl)benzyl)-N-(3-(2-methoxyethoxy)-5-(3-methoxypropyl)benzyl)propanamide::CHEMBL1093937

SMILES: COCCCc1cc(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCOC)c1

InChI Key: InChIKey=GURZVIGBGHQFAY-WJOKGBTCSA-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 = 50314657   

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))	BDBM50314657 ((R)-3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C37H48Cl2N2O5/c1-26-18-34(38)36(35(39)19-26)46-15-5-6-27-8-10-28(11-9-27)21-31(24-40)37(42)41(32-12-13-32)25-30-20-29(7-4-14-43-2)22-33(23-30)45-17-16-44-3/h8-11,18-20,22-23,31-32H,4-7,12-17,21,24-25,40H2,1-3H3/t31-/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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 after 30 mins				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair