Compile Data Set for Download or QSAR

Found 115 hits Enz. Inhib. hit(s) with all data for entry = 50033842   

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))	BDBM50352418 (CHEMBL1823863) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C21H27N7O2/c1-26-17-10-6-5-9-16(17)23-19(26)18-24-21(30-25-18)28-13-11-27(12-14-28)20(29)22-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,22,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352419 (CHEMBL1823864) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NC1CCC(F)(F)CC1 Show InChI InChI=1S/C21H25F2N7O2/c1-28-16-5-3-2-4-15(16)25-18(28)17-26-20(32-27-17)30-12-10-29(11-13-30)19(31)24-14-6-8-21(22,23)9-7-14/h2-5,14H,6-13H2,1H3,(H,24,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352296 (CHEMBL1822468) Show SMILES FC1(F)CCC(CC1)NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H24F2N6O2/c23-22(24)9-7-16(8-10-22)25-20(31)29-11-13-30(14-12-29)21-27-19(28-32-21)18-6-5-15-3-1-2-4-17(15)26-18/h1-6,16H,7-14H2,(H,25,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352419 (CHEMBL1823864) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NC1CCC(F)(F)CC1 Show InChI InChI=1S/C21H25F2N7O2/c1-28-16-5-3-2-4-15(16)25-18(28)17-26-20(32-27-17)30-12-10-29(11-13-30)19(31)24-14-6-8-21(22,23)9-7-14/h2-5,14H,6-13H2,1H3,(H,24,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352418 (CHEMBL1823863) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C21H27N7O2/c1-26-17-10-6-5-9-16(17)23-19(26)18-24-21(30-25-18)28-13-11-27(12-14-28)20(29)22-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,22,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352296 (CHEMBL1822468) Show SMILES FC1(F)CCC(CC1)NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H24F2N6O2/c23-22(24)9-7-16(8-10-22)25-20(31)29-11-13-30(14-12-29)21-27-19(28-32-21)18-6-5-15-3-1-2-4-17(15)26-18/h1-6,16H,7-14H2,(H,25,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352420 (CHEMBL1823865) Show SMILES O=C(NC1CCCCC1)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H26N6O2/c29-21(23-17-7-2-1-3-8-17)27-12-14-28(15-13-27)22-25-20(26-30-22)19-11-10-16-6-4-5-9-18(16)24-19/h4-6,9-11,17H,1-3,7-8,12-15H2,(H,23,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352433 (CHEMBL1823821) Show SMILES COc1ccccc1OC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C24H22N4O4/c1-30-20-8-4-5-9-21(20)31-24(29)28-14-12-17(13-15-28)23-26-22(27-32-23)19-11-10-16-6-2-3-7-18(16)25-19/h2-11,17H,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352421 (CHEMBL1823591) Show SMILES Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352424 (CHEMBL1823579) Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C24H23N5O3/c1-31-21-9-5-4-8-19(21)26-24(30)29-14-12-17(13-15-29)23-27-22(28-32-23)20-11-10-16-6-2-3-7-18(16)25-20/h2-11,17H,12-15H2,1H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352420 (CHEMBL1823865) Show SMILES O=C(NC1CCCCC1)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H26N6O2/c29-21(23-17-7-2-1-3-8-17)27-12-14-28(15-13-27)22-25-20(26-30-22)19-11-10-16-6-4-5-9-18(16)24-19/h4-6,9-11,17H,1-3,7-8,12-15H2,(H,23,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352435 (CHEMBL1823825) Show SMILES COc1cccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)c1 Show InChI InChI=1S/C24H23N5O3/c1-31-19-7-4-6-18(15-19)25-24(30)29-13-11-17(12-14-29)23-27-22(28-32-23)21-10-9-16-5-2-3-8-20(16)26-21/h2-10,15,17H,11-14H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352397 (CHEMBL1823842) Show SMILES O=C(OC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C23H26N4O3/c28-23(29-18-7-2-1-3-8-18)27-14-12-17(13-15-27)22-25-21(26-30-22)20-11-10-16-6-4-5-9-19(16)24-20/h4-6,9-11,17-18H,1-3,7-8,12-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352396 (CHEMBL1823841) Show SMILES O=C(NC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C23H27N5O2/c29-23(24-18-7-2-1-3-8-18)28-14-12-17(13-15-28)22-26-21(27-30-22)20-11-10-16-6-4-5-9-19(16)25-20/h4-6,9-11,17-18H,1-3,7-8,12-15H2,(H,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352400 (CHEMBL1823845) Show SMILES Clc1ccc(cc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1)C#N Show InChI InChI=1S/C24H19ClN6O2/c25-18-7-5-15(14-26)13-21(18)28-24(32)31-11-9-17(10-12-31)23-29-22(30-33-23)20-8-6-16-3-1-2-4-19(16)27-20/h1-8,13,17H,9-12H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352439 (CHEMBL1823831) Show SMILES FC(F)(F)c1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C24H20F3N5O2/c25-24(26,27)17-6-2-4-8-19(17)29-23(33)32-13-11-16(12-14-32)22-30-21(31-34-22)20-10-9-15-5-1-3-7-18(15)28-20/h1-10,16H,11-14H2,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352416 (CHEMBL1823861) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C22H28N6O2/c1-27-18-10-6-5-9-17(18)24-20(27)19-25-21(30-26-19)15-11-13-28(14-12-15)22(29)23-16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,23,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352440 (CHEMBL1823832) Show SMILES CC(C)c1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C26H27N5O2/c1-17(2)20-8-4-6-10-22(20)28-26(32)31-15-13-19(14-16-31)25-29-24(30-33-25)23-12-11-18-7-3-5-9-21(18)27-23/h3-12,17,19H,13-16H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352423 (CHEMBL1823584) Show SMILES Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C23H20ClN5O2/c24-17-6-2-4-8-19(17)26-23(30)29-13-11-16(12-14-29)22-27-21(28-31-22)20-10-9-15-5-1-3-7-18(15)25-20/h1-10,16H,11-14H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352395 (CHEMBL1823840) Show SMILES O=C(NC1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-22(23-17-6-2-3-7-17)27-13-11-16(12-14-27)21-25-20(26-29-21)19-10-9-15-5-1-4-8-18(15)24-19/h1,4-5,8-10,16-17H,2-3,6-7,11-14H2,(H,23,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352477 (CHEMBL1823830) Show SMILES Clc1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C23H20ClN5O2/c24-17-6-8-18(9-7-17)25-23(30)29-13-11-16(12-14-29)22-27-21(28-31-22)20-10-5-15-3-1-2-4-19(15)26-20/h1-10,16H,11-14H2,(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352415 (CHEMBL1823860) Show SMILES FC1(F)CCC(CC1)NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C23H25F2N5O2/c24-23(25)11-7-17(8-12-23)26-22(31)30-13-9-16(10-14-30)21-28-20(29-32-21)19-6-5-15-3-1-2-4-18(15)27-19/h1-6,16-17H,7-14H2,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352475 (CHEMBL1823824) Show SMILES O=C(Nc1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C23H21N5O2/c29-23(24-18-7-2-1-3-8-18)28-14-12-17(13-15-28)22-26-21(27-30-22)20-11-10-16-6-4-5-9-19(16)25-20/h1-11,17H,12-15H2,(H,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352441 (CHEMBL1823833) Show SMILES O=C(Nc1ccccc1C#N)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C24H20N6O2/c25-15-18-6-2-4-8-20(18)27-24(31)30-13-11-17(12-14-30)23-28-22(29-32-23)21-10-9-16-5-1-3-7-19(16)26-21/h1-10,17H,11-14H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352437 (CHEMBL1823828) Show SMILES Cc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C24H23N5O2/c1-16-6-2-4-8-19(16)26-24(30)29-14-12-18(13-15-29)23-27-22(28-31-23)21-11-10-17-7-3-5-9-20(17)25-21/h2-11,18H,12-15H2,1H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352428 (CHEMBL1823587) Show SMILES C[C@@H]1C[C@@H](CCN1C(=O)Nc1ccccc1Cl)c1nc(no1)-c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C24H22ClN5O2/c1-15-14-17(12-13-30(15)24(31)27-20-9-5-3-7-18(20)25)23-28-22(29-32-23)21-11-10-16-6-2-4-8-19(16)26-21/h2-11,15,17H,12-14H2,1H3,(H,27,31)/t15-,17-/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	620	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352427 (CHEMBL1823586) Show SMILES C[C@H]1C[C@@H](CCN1C(=O)Nc1ccccc1Cl)c1nc(no1)-c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C24H22ClN5O2/c1-15-14-17(12-13-30(15)24(31)27-20-9-5-3-7-18(20)25)23-28-22(29-32-23)21-11-10-16-6-2-4-8-19(16)26-21/h2-11,15,17H,12-14H2,1H3,(H,27,31)/t15-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352438 (CHEMBL1823829) Show SMILES O=C(N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1)N1CCCc2ccccc12 Show InChI InChI=1S/C26H25N5O2/c32-26(31-15-5-8-19-7-2-4-10-23(19)31)30-16-13-20(14-17-30)25-28-24(29-33-25)22-12-11-18-6-1-3-9-21(18)27-22/h1-4,6-7,9-12,20H,5,8,13-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352417 (CHEMBL1823862) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H26N6O4S/c1-26-17-5-3-2-4-16(17)23-19(26)18-24-20(31-25-18)14-6-10-27(11-7-14)21(28)22-15-8-12-32(29,30)13-9-15/h2-5,14-15H,6-13H2,1H3,(H,22,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352421 (CHEMBL1823591) Show SMILES Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352457 (CHEMBL1823602) Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1cc2ccccc2cn1 Show InChI InChI=1S/C24H23N5O3/c1-31-21-9-5-4-8-19(21)26-24(30)29-12-10-16(11-13-29)23-27-22(28-32-23)20-14-17-6-2-3-7-18(17)15-25-20/h2-9,14-16H,10-13H2,1H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352394 (CHEMBL1823839) Show SMILES O=C(NCC1CCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-22(23-14-15-4-3-5-15)27-12-10-17(11-13-27)21-25-20(26-29-21)19-9-8-16-6-1-2-7-18(16)24-19/h1-2,6-9,15,17H,3-5,10-14H2,(H,23,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352417 (CHEMBL1823862) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H26N6O4S/c1-26-17-5-3-2-4-16(17)23-19(26)18-24-20(31-25-18)14-6-10-27(11-7-14)21(28)22-15-8-12-32(29,30)13-9-15/h2-5,14-15H,6-13H2,1H3,(H,22,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352426 (CHEMBL1823585) Show SMILES CC1CN(CCC1c1nc(no1)-c1ccc2ccccc2n1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C24H22ClN5O2/c1-15-14-30(24(31)27-20-9-5-3-7-18(20)25)13-12-17(15)23-28-22(29-32-23)21-11-10-16-6-2-4-8-19(16)26-21/h2-11,15,17H,12-14H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352414 (CHEMBL1823859) Show SMILES O=C(NC1CCS(=O)(=O)CC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O4S/c28-22(23-17-9-13-32(29,30)14-10-17)27-11-7-16(8-12-27)21-25-20(26-31-21)19-6-5-15-3-1-2-4-18(15)24-19/h1-6,16-17H,7-14H2,(H,23,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352432 (CHEMBL1823617) Show SMILES O=C(CC1CCCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C25H30N4O2/c30-23(17-18-7-3-1-2-4-8-18)29-15-13-20(14-16-29)25-27-24(28-31-25)22-12-11-19-9-5-6-10-21(19)26-22/h5-6,9-12,18,20H,1-4,7-8,13-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352431 (CHEMBL1823590) Show SMILES FC1(CCN(CC1)C(=O)Nc1ccccc1Cl)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C23H19ClFN5O2/c24-16-6-2-4-8-18(16)27-22(31)30-13-11-23(25,12-14-30)21-28-20(29-32-21)19-10-9-15-5-1-3-7-17(15)26-19/h1-10H,11-14H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352422 (CHEMBL1823616) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C22H21ClN6O2/c1-28-18-9-5-4-8-17(18)24-20(28)19-26-21(31-27-19)14-10-12-29(13-11-14)22(30)25-16-7-3-2-6-15(16)23/h2-9,14H,10-13H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352467 (CHEMBL1823612) Show SMILES Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-15-5-1-2-6-16(15)26-22(30)29-11-9-14(10-12-29)21-27-20(28-31-21)19-13-24-17-7-3-4-8-18(17)25-19/h1-8,13-14H,9-12H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352416 (CHEMBL1823861) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C22H28N6O2/c1-27-18-10-6-5-9-17(18)24-20(27)19-25-21(30-26-19)15-11-13-28(14-12-15)22(29)23-16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,23,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352444 (CHEMBL1823836) Show SMILES Clc1ccncc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-16-7-10-24-13-19(16)26-22(30)29-11-8-15(9-12-29)21-27-20(28-31-21)18-6-5-14-3-1-2-4-17(14)25-18/h1-7,10,13,15H,8-9,11-12H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352399 (CHEMBL1823844) Show SMILES CS(=O)(=O)c1ccc(Cl)c(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)c1 Show InChI InChI=1S/C24H22ClN5O4S/c1-35(32,33)17-7-8-18(25)21(14-17)27-24(31)30-12-10-16(11-13-30)23-28-22(29-34-23)20-9-6-15-4-2-3-5-19(15)26-20/h2-9,14,16H,10-13H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352412 (CHEMBL1823857) Show SMILES CC(=O)N1CCC(CC1)NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C24H28N6O3/c1-16(31)29-14-10-19(11-15-29)25-24(32)30-12-8-18(9-13-30)23-27-22(28-33-23)21-7-6-17-4-2-3-5-20(17)26-21/h2-7,18-19H,8-15H2,1H3,(H,25,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352442 (CHEMBL1823834) Show SMILES O=C(Nc1cccc2cccnc12)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C26H22N6O2/c33-26(29-21-9-3-6-18-7-4-14-27-23(18)21)32-15-12-19(13-16-32)25-30-24(31-34-25)22-11-10-17-5-1-2-8-20(17)28-22/h1-11,14,19H,12-13,15-16H2,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352436 (CHEMBL1823827) Show SMILES COc1ccccc1N(C)C(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C25H25N5O3/c1-29(21-9-5-6-10-22(21)32-2)25(31)30-15-13-18(14-16-30)24-27-23(28-33-24)20-12-11-17-7-3-4-8-19(17)26-20/h3-12,18H,13-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352443 (CHEMBL1823835) Show SMILES Clc1ncccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-19-17(6-3-11-24-19)26-22(30)29-12-9-15(10-13-29)21-27-20(28-31-21)18-8-7-14-4-1-2-5-16(14)25-18/h1-8,11,15H,9-10,12-13H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352415 (CHEMBL1823860) Show SMILES FC1(F)CCC(CC1)NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C23H25F2N5O2/c24-23(25)11-7-17(8-12-23)26-22(31)30-13-9-16(10-14-30)21-28-20(29-32-21)19-6-5-15-3-1-2-4-18(15)27-19/h1-6,16-17H,7-14H2,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352398 (CHEMBL1823843) Show SMILES CS(=O)(=O)c1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)c(Cl)c1 Show InChI InChI=1S/C24H22ClN5O4S/c1-35(32,33)17-7-9-20(18(25)14-17)27-24(31)30-12-10-16(11-13-30)23-28-22(29-34-23)21-8-6-15-4-2-3-5-19(15)26-21/h2-9,14,16H,10-13H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352446 (CHEMBL1823838) Show SMILES Cc1noc(C)c1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H22N6O3/c1-13-19(14(2)30-26-13)24-22(29)28-11-9-16(10-12-28)21-25-20(27-31-21)18-8-7-15-5-3-4-6-17(15)23-18/h3-8,16H,9-12H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352414 (CHEMBL1823859) Show SMILES O=C(NC1CCS(=O)(=O)CC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O4S/c28-22(23-17-9-13-32(29,30)14-10-17)27-11-7-16(8-12-27)21-25-20(26-31-21)19-6-5-15-3-1-2-4-18(15)24-19/h1-6,16-17H,7-14H2,(H,23,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair

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