BDBM50452142 CHEMBL4212501

SMILES: CCSc1ccc(cn1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(F)c1

InChI Key: InChIKey=JCGSSDBZKLLZAY-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 = 50452142   

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)	BDBM50452142 (CHEMBL4212501) Show SMILES CCSc1ccc(cn1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r| Show InChI InChI=1S/C29H31BrFN3O2S/c1-5-37-26-12-9-19(18-32-26)27(24-16-20-15-22(30)10-11-25(20)33-28(24)36-4)29(35,13-14-34(2)3)21-7-6-8-23(31)17-21/h6-12,15-18,27,35H,5,13-14H2,1-4H3/t27-,29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	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))	BDBM50452142 (CHEMBL4212501) Show SMILES CCSc1ccc(cn1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r| Show InChI InChI=1S/C29H31BrFN3O2S/c1-5-37-26-12-9-19(18-32-26)27(24-16-20-15-22(30)10-11-25(20)33-28(24)36-4)29(35,13-14-34(2)3)21-7-6-8-23(31)17-21/h6-12,15-18,27,35H,5,13-14H2,1-4H3/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