BDBM50452135 CHEMBL4213428

SMILES: COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cccc(C)c2)c1OC

InChI Key: InChIKey=QQYHBBLBYNAPHM-PDDLMNHVSA-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 = 50452135   

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))	BDBM50452135 (CHEMBL4213428) Show SMILES COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cccc(C)c2)c1OC |r| Show InChI InChI=1S/C30H34BrN3O4/c1-19-8-7-9-21(16-19)30(35,13-15-34(2)3)26(23-12-14-32-29(38-6)27(23)36-4)24-18-20-17-22(31)10-11-25(20)33-28(24)37-5/h7-12,14,16-18,26,35H,13,15H2,1-6H3/t26-,30-/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 (unknown origin) after 20 mins				Bioorg Med Chem Lett 27: 5190-5196 (2017) Article DOI: 10.1016/j.bmcl.2017.10.042 BindingDB Entry DOI: 10.7270/Q2X3511S
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50452135 (CHEMBL4213428) Show SMILES COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cccc(C)c2)c1OC |r| Show InChI InChI=1S/C30H34BrN3O4/c1-19-8-7-9-21(16-19)30(35,13-15-34(2)3)26(23-12-14-32-29(38-6)27(23)36-4)24-18-20-17-22(31)10-11-25(20)33-28(24)37-5/h7-12,14,16-18,26,35H,13,15H2,1-6H3/t26-,30-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 5190-5196 (2017) Article DOI: 10.1016/j.bmcl.2017.10.042 BindingDB Entry DOI: 10.7270/Q2X3511S
					More data for this Ligand-Target Pair