null

SMILES: Cc1cc(cc(Cl)c1NC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O)C#N

InChI Key: InChIKey=WUFPRCXHCONSJQ-MJGOQNOKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50349299   

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 (Homo sapiens (Human))	BDBM50349299 (CHEMBL1808458) Show SMILES Cc1cc(cc(Cl)c1NC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O)C#N |r| Show InChI InChI=1S/C24H22ClN5O3/c1-14-9-15(12-26)10-18(25)21(14)27-23(32)28-7-8-29-20(13-28)22(31)30(24(29)33)19-11-17(19)16-5-3-2-4-6-16/h2-6,9-10,17,19,31H,7-8,11,13H2,1H3,(H,27,32)/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography				Bioorg Med Chem Lett 21: 4422-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.024 BindingDB Entry DOI: 10.7270/Q2639Q3Z
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50349299 (CHEMBL1808458) Show SMILES Cc1cc(cc(Cl)c1NC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O)C#N |r| Show InChI InChI=1S/C24H22ClN5O3/c1-14-9-15(12-26)10-18(25)21(14)27-23(32)28-7-8-29-20(13-28)22(31)30(24(29)33)19-11-17(19)16-5-3-2-4-6-16/h2-6,9-10,17,19,31H,7-8,11,13H2,1H3,(H,27,32)/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway				Bioorg Med Chem Lett 21: 4422-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.024 BindingDB Entry DOI: 10.7270/Q2639Q3Z
					More data for this Ligand-Target Pair