BDBM50200491 CHEMBL3971787

SMILES: [H][C@]1(CC[C@@H](C)[C@]2([H])CCC(=O)C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1

InChI Key: InChIKey=WPGWBJFFTHWZIM-QANQIFJLSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50200491   

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)	BDBM50200491 (CHEMBL3971787) Show SMILES [H][C@]1(CC[C@@H](C)[C@]2([H])CCC(=O)C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H29ClN2O2/c1-15-6-9-20(21-14-18(29)8-10-19(15)21)16(2)25(30)28-17-7-11-23(26)22(13-17)24-5-3-4-12-27-24/h3-5,7,11-13,15-16,19-21H,6,8-10,14H2,1-2H3,(H,28,30)/t15-,16-,19+,20+,21+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	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