BDBM50200478 CHEMBL3967752

SMILES: [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1

InChI Key: InChIKey=PLRSSFZFXGFEFV-MDYRTPRTSA-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 = 50200478   

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
Smoothened homolog (Mus musculus)	BDBM50200478 (CHEMBL3967752) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-15-7-10-20(24-19(15)11-8-16(2)28-24)17(3)25(30)29-18-9-12-22(26)21(14-18)23-6-4-5-13-27-23/h4-6,8-9,11-15,17,20H,7,10H2,1-3H3,(H,29,30)/t15-,17-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay				J Med Chem 59: 11050-11068 (2016) Article DOI: 10.1021/acs.jmedchem.6b01247 BindingDB Entry DOI: 10.7270/Q2TQ63G3
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50200478 (CHEMBL3967752) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-15-7-10-20(24-19(15)11-8-16(2)28-24)17(3)25(30)29-18-9-12-22(26)21(14-18)23-6-4-5-13-27-23/h4-6,8-9,11-15,17,20H,7,10H2,1-3H3,(H,29,30)/t15-,17-,20+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 59: 11050-11068 (2016) Article DOI: 10.1021/acs.jmedchem.6b01247 BindingDB Entry DOI: 10.7270/Q2TQ63G3
					More data for this Ligand-Target Pair