BDBM50460273 CHEMBL4227597

SMILES: COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2CCCc12

InChI Key: InChIKey=SBCVIMQRTPSTMY-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 = 50460273   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50460273 (CHEMBL4227597) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2CCCc12 |r| Show InChI InChI=1S/C32H34BrNO2/c1-34(2)18-17-32(35,29-14-8-12-22-11-7-13-27(22)29)31(23-9-5-4-6-10-23)28-20-25-19-26(33)16-15-24(25)21-30(28)36-3/h4-6,8-10,12,14-16,19-21,31,35H,7,11,13,17-18H2,1-3H3/t31-,32-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50460273 (CHEMBL4227597) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2CCCc12 |r| Show InChI InChI=1S/C32H34BrNO2/c1-34(2)18-17-32(35,29-14-8-12-22-11-7-13-27(22)29)31(23-9-5-4-6-10-23)28-20-25-19-26(33)16-15-24(25)21-30(28)36-3/h4-6,8-10,12,14-16,19-21,31,35H,7,11,13,17-18H2,1-3H3/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