BDBM50452140 CHEMBL4204414

SMILES: COc1nc2ccc(Br)cc2cc1[C@@H](c1ccc(nc1)N(C)C)[C@@](O)(CCN(C)C)c1cccc(F)c1

InChI Key: InChIKey=WHUPIGQQBVJVIP-XRKRLSELSA-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 = 50452140   

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)	BDBM50452140 (CHEMBL4204414) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccc(nc1)N(C)C)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r| Show InChI InChI=1S/C29H32BrFN4O2/c1-34(2)14-13-29(36,21-7-6-8-23(31)17-21)27(19-9-12-26(32-18-19)35(3)4)24-16-20-15-22(30)10-11-25(20)33-28(24)37-5/h6-12,15-18,27,36H,13-14H2,1-5H3/t27-,29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50452140 (CHEMBL4204414) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccc(nc1)N(C)C)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r| Show InChI InChI=1S/C29H32BrFN4O2/c1-34(2)14-13-29(36,21-7-6-8-23(31)17-21)27(19-9-12-26(32-18-19)35(3)4)24-16-20-15-22(30)10-11-25(20)33-28(24)37-5/h6-12,15-18,27,36H,13-14H2,1-5H3/t27-,29-/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