BDBM50460288 CHEMBL4227540

SMILES: COc1cc2ccc(cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cc2ccccc2o1)C#N

InChI Key: InChIKey=DZNOWMUCVQNUML-ROJLCIKYSA-N

Data: 2 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 2 hits for monomerid = 50460288   

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))	BDBM50460288 (CHEMBL4227540) Show SMILES COc1cc2ccc(cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cc2ccccc2o1)C#N |r| Show InChI InChI=1S/C32H29FN2O3/c1-35(2)14-13-32(36,30-19-23-7-4-5-10-28(23)38-30)31(24-8-6-9-26(33)16-24)27-17-25-15-21(20-34)11-12-22(25)18-29(27)37-3/h4-12,15-19,31,36H,13-14H2,1-3H3/t31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes after 20 mins				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50460288 (CHEMBL4227540) Show SMILES COc1cc2ccc(cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cc2ccccc2o1)C#N |r| Show InChI InChI=1S/C32H29FN2O3/c1-35(2)14-13-32(36,30-19-23-7-4-5-10-28(23)38-30)31(24-8-6-9-26(33)16-24)27-17-25-15-21(20-34)11-12-22(25)18-29(27)37-3/h4-12,15-19,31,36H,13-14H2,1-3H3/t31-,32-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair