BDBM50200481 CHEMBL3986017

SMILES: [H][C@]1(CC[C@@H](C)c2ccc(CN3CCOCC3)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1

InChI Key: InChIKey=QIPSSQCEYCIPGI-REHUZNOOSA-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 = 50200481   

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)	BDBM50200481 (CHEMBL3986017) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(CN3CCOCC3)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C29H33ClN4O2/c1-19-6-9-24(28-23(19)10-7-22(32-28)18-34-13-15-36-16-14-34)20(2)29(35)33-21-8-11-26(30)25(17-21)27-5-3-4-12-31-27/h3-5,7-8,10-12,17,19-20,24H,6,9,13-16,18H2,1-2H3,(H,33,35)/t19-,20-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	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 GSC2 (Saccharomyces cerevisiae)	BDBM50200481 (CHEMBL3986017) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(CN3CCOCC3)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C29H33ClN4O2/c1-19-6-9-24(28-23(19)10-7-22(32-28)18-34-13-15-36-16-14-34)20(2)29(35)33-21-8-11-26(30)25(17-21)27-5-3-4-12-31-27/h3-5,7-8,10-12,17,19-20,24H,6,9,13-16,18H2,1-2H3,(H,33,35)/t19-,20-,24+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+3	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