Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50350341'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Smoothened homolog (Homo sapiens (Human))	BDBM50350341 (CHEMBL1813113) Show SMILES C[C@@]12CN(CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O)C(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H28N4O3/c1-29-19-31(27(35)30-24-15-9-8-14-22(24)20-10-4-2-5-11-20)16-17-32(29)28(36)33(26(29)34)25-18-23(25)21-12-6-3-7-13-21/h2-15,23,25H,16-19H2,1H3,(H,30,35)/t23-,25+,29+/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	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum				Bioorg Med Chem Lett 21: 4429-35 (2011) Article DOI: 10.1016/j.bmcl.2011.06.023 BindingDB Entry DOI: 10.7270/Q2K074NQ
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50350341 (CHEMBL1813113) Show SMILES C[C@@]12CN(CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O)C(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H28N4O3/c1-29-19-31(27(35)30-24-15-9-8-14-22(24)20-10-4-2-5-11-20)16-17-32(29)28(36)33(26(29)34)25-18-23(25)21-12-6-3-7-13-21/h2-15,23,25H,16-19H2,1H3,(H,30,35)/t23-,25+,29+/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	23	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 assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene ...				Bioorg Med Chem Lett 21: 4429-35 (2011) Article DOI: 10.1016/j.bmcl.2011.06.023 BindingDB Entry DOI: 10.7270/Q2K074NQ
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50350341 (CHEMBL1813113) Show SMILES C[C@@]12CN(CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O)C(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H28N4O3/c1-29-19-31(27(35)30-24-15-9-8-14-22(24)20-10-4-2-5-11-20)16-17-32(29)28(36)33(26(29)34)25-18-23(25)21-12-6-3-7-13-21/h2-15,23,25H,16-19H2,1H3,(H,30,35)/t23-,25+,29+/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	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum				Bioorg Med Chem Lett 21: 4429-35 (2011) Article DOI: 10.1016/j.bmcl.2011.06.023 BindingDB Entry DOI: 10.7270/Q2K074NQ
					More data for this Ligand-Target Pair