Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'faure' and Initial = 'h'   

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))	BDBM50383031 (CHEMBL2031290) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 |w:17.18| Show InChI InChI=1S/C31H30N4O5/c1-19-10-15-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,34,36)(H3,32,33,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50249522 (2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...) Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Homo sapiens (Human))	BDBM50249522 (2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...) Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Homo sapiens (Human))	BDBM50383020 (CHEMBL2031277) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O6/c1-19-10-15-24(32-31(37)34-30(36)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383029 (CHEMBL2031288) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1 |w:17.18| Show InChI InChI=1S/C31H29FN4O5/c1-18-5-14-24(34-31(33)36-30(38)22-15-26(39-2)28(41-4)27(16-22)40-3)17-25(18)35-29(37)21-8-6-19(7-9-21)20-10-12-23(32)13-11-20/h5-17H,1-4H3,(H,35,37)(H3,33,34,36,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383031 (CHEMBL2031290) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 |w:17.18| Show InChI InChI=1S/C31H30N4O5/c1-19-10-15-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,34,36)(H3,32,33,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383020 (CHEMBL2031277) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O6/c1-19-10-15-24(32-31(37)34-30(36)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383015 (CHEMBL2031263) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C31H28FN3O5S/c1-18-5-14-24(33-31(41)35-30(37)22-15-26(38-2)28(40-4)27(16-22)39-3)17-25(18)34-29(36)21-8-6-19(7-9-21)20-10-12-23(32)13-11-20/h5-17H,1-4H3,(H,34,36)(H2,33,35,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383028 (CHEMBL2031287) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1 |w:17.18| Show InChI InChI=1S/C30H27FN4O5/c1-38-25-15-21(16-26(39-2)27(25)40-3)29(37)35-30(32)34-24-6-4-5-23(17-24)33-28(36)20-9-7-18(8-10-20)19-11-13-22(31)14-12-19/h4-17H,1-3H3,(H,33,36)(H3,32,34,35,37)	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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383016 (CHEMBL2031268) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O5S/c1-19-10-15-24(32-31(40)34-30(36)23-16-26(37-2)28(39-4)27(17-23)38-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383016 (CHEMBL2031268) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O5S/c1-19-10-15-24(32-31(40)34-30(36)23-16-26(37-2)28(39-4)27(17-23)38-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50232973 (CHEMBL254129 | CYCLOPAMINE) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |r,c:32,t:18| Show InChI InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Homo sapiens (Human))	BDBM50383024 (CHEMBL2031283) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(c1)-c1cc2ccccc2[nH]1 |w:17.18| Show InChI InChI=1S/C25H24N4O4/c1-31-21-13-17(14-22(32-2)23(21)33-3)24(30)29-25(26)27-18-9-6-8-15(11-18)20-12-16-7-4-5-10-19(16)28-20/h4-14,28H,1-3H3,(H3,26,27,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383030 (CHEMBL2031289) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(Cl)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 |w:17.18| Show InChI InChI=1S/C30H27ClN4O5/c1-38-25-15-21(16-26(39-2)27(25)40-3)29(37)35-30(32)33-22-13-14-23(31)24(17-22)34-28(36)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,34,36)(H3,32,33,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383022 (CHEMBL2031077) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C30H26ClN3O6/c1-38-25-15-21(16-26(39-2)27(25)40-3)29(36)34-30(37)32-22-13-14-23(31)24(17-22)33-28(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,33,35)(H2,32,34,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383036 (CHEMBL2031098) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C30H27N3O5S/c1-36-25-16-22(17-26(37-2)27(25)38-3)29(35)33-30(39)32-24-11-7-10-23(18-24)31-28(34)21-14-12-20(13-15-21)19-8-5-4-6-9-19/h4-18H,1-3H3,(H,31,34)(H2,32,33,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50249519 (CHEMBL480889 | N-((3S,5S)-1-(benzo[d][1,3]dioxol-5...) Show SMILES COc1cccc(CN([C@H]2C[C@H](N(Cc3ccc4OCOc4c3)C2)C(=O)N2CCNCC2)C(=O)CC(C)(C)C)c1 |r| Show InChI InChI=1S/C31H42N4O5/c1-31(2,3)17-29(36)35(19-22-6-5-7-25(14-22)38-4)24-16-26(30(37)33-12-10-32-11-13-33)34(20-24)18-23-8-9-27-28(15-23)40-21-39-27/h5-9,14-15,24,26,32H,10-13,16-21H2,1-4H3/t24-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7200 CNRS-Universit£ de Strasbourg Facult£ de Pharmacie Curated by ChEMBL					Assay Description Inhibition of SHH pathway in mouse Shh Light2 cells after 40 hrs by Gli-dependent luciferase reporter gene assay				Bioorg Med Chem Lett 21: 3608-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.103 BindingDB Entry DOI: 10.7270/Q28C9WM4
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383037 (CHEMBL2031245) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C30H26FN3O5S/c1-37-25-15-21(16-26(38-2)27(25)39-3)29(36)34-30(40)33-24-6-4-5-23(17-24)32-28(35)20-9-7-18(8-10-20)19-11-13-22(31)14-12-19/h4-17H,1-3H3,(H,32,35)(H2,33,34,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383019 (CHEMBL2031273) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C24H23N3O6/c1-31-19-12-16(13-20(32-2)21(19)33-3)23(29)27-24(30)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383021 (CHEMBL2031281) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1cccc(NC(=O)c2cc3ccccc3[nH]2)c1 Show InChI InChI=1S/C26H24N4O6/c1-34-21-12-16(13-22(35-2)23(21)36-3)24(31)30-26(33)28-18-9-6-8-17(14-18)27-25(32)20-11-15-7-4-5-10-19(15)29-20/h4-14,29H,1-3H3,(H,27,32)(H2,28,30,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383032 (CHEMBL2031291) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(NC(=O)c2cccc(c2)-c2ccccc2)c1 |w:17.18| Show InChI InChI=1S/C31H30N4O5/c1-19-13-14-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-12-8-11-21(15-22)20-9-6-5-7-10-20/h5-18H,1-4H3,(H,34,36)(H3,32,33,35,37)	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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383041 (CHEMBL2031267) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(Cl)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C30H26ClN3O5S/c1-37-25-15-21(16-26(38-2)27(25)39-3)29(36)34-30(40)32-22-13-14-23(31)24(17-22)33-28(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,33,35)(H2,32,34,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50249519 (CHEMBL480889 | N-((3S,5S)-1-(benzo[d][1,3]dioxol-5...) Show SMILES COc1cccc(CN([C@H]2C[C@H](N(Cc3ccc4OCOc4c3)C2)C(=O)N2CCNCC2)C(=O)CC(C)(C)C)c1 |r| Show InChI InChI=1S/C31H42N4O5/c1-31(2,3)17-29(36)35(19-22-6-5-7-25(14-22)38-4)24-16-26(30(37)33-12-10-32-11-13-33)34(20-24)18-23-8-9-27-28(15-23)40-21-39-27/h5-9,14-15,24,26,32H,10-13,16-21H2,1-4H3/t24-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383019 (CHEMBL2031273) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C24H23N3O6/c1-31-19-12-16(13-20(32-2)21(19)33-3)23(29)27-24(30)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Antagonist activity at Smo receptor				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383019 (CHEMBL2031273) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C24H23N3O6/c1-31-19-12-16(13-20(32-2)21(19)33-3)23(29)27-24(30)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383042 (CHEMBL2031295) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(Cl)c(c1)C(=O)Nc1ccccc1 |w:17.18| Show InChI InChI=1S/C24H23ClN4O5/c1-32-19-11-14(12-20(33-2)21(19)34-3)22(30)29-24(26)28-16-9-10-18(25)17(13-16)23(31)27-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,27,31)(H3,26,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383038 (CHEMBL2031253) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H23N3O4S/c1-30-21-13-17(14-22(31-2)23(21)32-3)24(29)28-25(33)26-18-9-6-8-15(11-18)20-12-16-7-4-5-10-19(16)27-20/h4-14,27H,1-3H3,(H2,26,28,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383035 (CHEMBL2031294) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(c1)C(=O)Nc1ccccc1 |w:17.18| Show InChI InChI=1S/C25H26N4O5/c1-15-10-11-18(14-19(15)24(31)27-17-8-6-5-7-9-17)28-25(26)29-23(30)16-12-20(32-2)22(34-4)21(13-16)33-3/h5-14H,1-4H3,(H,27,31)(H3,26,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383014 (CHEMBL2031258) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C24H22ClN3O5S/c1-31-19-11-15(12-20(32-2)21(19)33-3)23(30)28-24(34)26-16-9-10-17(25)18(13-16)27-22(29)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,27,29)(H2,26,28,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383025 (CHEMBL2031284) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(NC(=O)c2ccc(cc2)N2CCOCC2)c1 |w:17.18| Show InChI InChI=1S/C28H31N5O6/c1-36-23-15-19(16-24(37-2)25(23)38-3)27(35)32-28(29)31-21-6-4-5-20(17-21)30-26(34)18-7-9-22(10-8-18)33-11-13-39-14-12-33/h4-10,15-17H,11-14H2,1-3H3,(H,30,34)(H3,29,31,32,35)	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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50193410 (CHEMBL536975 | N-[(1S,2S)-2-((R)-1-naphthalen-1-yl...) Show SMILES C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 Show InChI InChI=1S/C26H27F3N2O2/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)30-23-11-4-5-12-24(23)31-25(32)19-13-15-20(16-14-19)33-26(27,28)29/h2-3,6-10,13-17,23-24,30H,4-5,11-12H2,1H3,(H,31,32)/t17-,23+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Activity at rat CaSR in CHO cells assessed as inhibition of calcium ion-induced [3H]inositol phosphate accumulation				J Med Chem 49: 5119-28 (2006) Article DOI: 10.1021/jm051233+ BindingDB Entry DOI: 10.7270/Q2DJ5GFC
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383023 (CHEMBL2031282) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(NC(=O)c2ccccc2)c1 |w:17.18| Show InChI InChI=1S/C24H24N4O5/c1-31-19-12-16(13-20(32-2)21(19)33-3)23(30)28-24(25)27-18-11-7-10-17(14-18)26-22(29)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,26,29)(H3,25,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Antagonist activity at Smo receptor				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383023 (CHEMBL2031282) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(NC(=O)c2ccccc2)c1 |w:17.18| Show InChI InChI=1S/C24H24N4O5/c1-31-19-12-16(13-20(32-2)21(19)33-3)23(30)28-24(25)27-18-11-7-10-17(14-18)26-22(29)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,26,29)(H3,25,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383034 (CHEMBL2031084) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50232973 (CHEMBL254129 | CYCLOPAMINE) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |r,c:32,t:18| Show InChI InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7200 CNRS-Universit£ de Strasbourg Facult£ de Pharmacie Curated by ChEMBL					Assay Description Inhibition of SHH pathway in mouse Shh Light2 cells after 40 hrs by Gli-dependent luciferase reporter gene assay				Bioorg Med Chem Lett 21: 3608-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.103 BindingDB Entry DOI: 10.7270/Q28C9WM4
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50249519 (CHEMBL480889 | N-((3S,5S)-1-(benzo[d][1,3]dioxol-5...) Show SMILES COc1cccc(CN([C@H]2C[C@H](N(Cc3ccc4OCOc4c3)C2)C(=O)N2CCNCC2)C(=O)CC(C)(C)C)c1 |r| Show InChI InChI=1S/C31H42N4O5/c1-31(2,3)17-29(36)35(19-22-6-5-7-25(14-22)38-4)24-16-26(30(37)33-12-10-32-11-13-33)34(20-24)18-23-8-9-27-28(15-23)40-21-39-27/h5-9,14-15,24,26,32H,10-13,16-21H2,1-4H3/t24-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7200 CNRS-Universit£ de Strasbourg Facult£ de Pharmacie Curated by ChEMBL					Assay Description Inhibition of N-terminal SHH activated pathway in mouse C3H10T1/2 cells assessed as SAG-induced cell differentiation by alkaline phosphatase assay				Bioorg Med Chem Lett 21: 3608-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.103 BindingDB Entry DOI: 10.7270/Q28C9WM4
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50232973 (CHEMBL254129 | CYCLOPAMINE) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |r,c:32,t:18| Show InChI InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50193411 (3,4-dichloro-N-((1S,2S)-2-((R)-1-(naphthalen-1-yl)...) Show SMILES C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 Show InChI InChI=1S/C25H26Cl2N2O/c1-16(19-10-6-8-17-7-2-3-9-20(17)19)28-23-11-4-5-12-24(23)29-25(30)18-13-14-21(26)22(27)15-18/h2-3,6-10,13-16,23-24,28H,4-5,11-12H2,1H3,(H,29,30)/t16-,23+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Activity at rat CaSR in CHO cells assessed as inhibition of calcium ion-induced [3H]inositol phosphate accumulation				J Med Chem 49: 5119-28 (2006) Article DOI: 10.1021/jm051233+ BindingDB Entry DOI: 10.7270/Q2DJ5GFC
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383033 (CHEMBL2031292) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1 |w:17.18| Show InChI InChI=1S/C24H23ClN4O5/c1-32-19-11-15(12-20(33-2)21(19)34-3)23(31)29-24(26)27-16-9-10-17(25)18(13-16)28-22(30)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,28,30)(H3,26,27,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50161093 ((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N |r| Show InChI InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Activity at rat CaSR in CHO cells assessed as inhibition of calcium ion-induced [3H]inositol phosphate accumulation				J Med Chem 49: 5119-28 (2006) Article DOI: 10.1021/jm051233+ BindingDB Entry DOI: 10.7270/Q2DJ5GFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Homo sapiens (Human))	BDBM50383017 (CHEMBL2031080) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(Cl)c(c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H22ClN3O5S/c1-31-19-11-14(12-20(32-2)21(19)33-3)22(29)28-24(34)27-16-9-10-18(25)17(13-16)23(30)26-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,26,30)(H2,27,28,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50232973 (CHEMBL254129 | CYCLOPAMINE) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |r,c:32,t:18| Show InChI InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7200 CNRS-Universit£ de Strasbourg Facult£ de Pharmacie Curated by ChEMBL					Assay Description Inhibition of N-terminal SHH activated pathway in mouse C3H10T1/2 cells assessed as SAG-induced cell differentiation by alkaline phosphatase assay				Bioorg Med Chem Lett 21: 3608-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.103 BindingDB Entry DOI: 10.7270/Q28C9WM4
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383026 (CHEMBL2031285) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=N)Nc1cccc(NC(=O)c2cn3ccsc3n2)c1 Show InChI InChI=1S/C23H22N6O5S/c1-32-17-9-13(10-18(33-2)19(17)34-3)20(30)28-22(24)26-15-6-4-5-14(11-15)25-21(31)16-12-29-7-8-35-23(29)27-16/h4-12H,1-3H3,(H,25,31)(H3,24,26,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383034 (CHEMBL2031084) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383034 (CHEMBL2031084) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Antagonist activity at Smo receptor				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383039 (CHEMBL2031254) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(c1)-c1cn2ccccc2n1 Show InChI InChI=1S/C24H22N4O4S/c1-30-19-12-16(13-20(31-2)22(19)32-3)23(29)27-24(33)25-17-8-6-7-15(11-17)18-14-28-10-5-4-9-21(28)26-18/h4-14H,1-3H3,(H2,25,27,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50193408 (CHEMBL556781 | N-((1R,2R)-2-((R)-1-(naphthalen-1-y...) Show SMILES C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 Show InChI InChI=1S/C26H27F3N2O2/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)30-23-11-4-5-12-24(23)31-25(32)19-13-15-20(16-14-19)33-26(27,28)29/h2-3,6-10,13-17,23-24,30H,4-5,11-12H2,1H3,(H,31,32)/t17-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Activity at rat CaSR in CHO cells assessed as inhibition of calcium ion-induced [3H]inositol phosphate accumulation				J Med Chem 49: 5119-28 (2006) Article DOI: 10.1021/jm051233+ BindingDB Entry DOI: 10.7270/Q2DJ5GFC
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383027 (CHEMBL2031286) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(c1)-n1ccc2ccccc12 |w:17.18| Show InChI InChI=1S/C25H24N4O4/c1-31-21-13-17(14-22(32-2)23(21)33-3)24(30)28-25(26)27-18-8-6-9-19(15-18)29-12-11-16-7-4-5-10-20(16)29/h4-15H,1-3H3,(H3,26,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383040 (CHEMBL2031256) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(c1)-c1cn2ccsc2n1 Show InChI InChI=1S/C22H20N4O4S2/c1-28-17-10-14(11-18(29-2)19(17)30-3)20(27)25-21(31)23-15-6-4-5-13(9-15)16-12-26-7-8-32-22(26)24-16/h4-12H,1-3H3,(H2,23,25,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50347600 (CHEMBL1803109) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CCCCN1 |r,t:8| Show InChI InChI=1S/C26H43NO/c1-17(24-6-4-5-15-27-24)21-9-10-22-20-8-7-18-16-19(28)11-13-25(18,2)23(20)12-14-26(21,22)3/h7,17,19-24,27-28H,4-6,8-16H2,1-3H3/t17-,19-,20-,21+,22-,23-,24-,25-,26+/m0/s1	PDB UniProtKB/SwissProt 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
UMR 7200 CNRS-Universit£ de Strasbourg Facult£ de Pharmacie Curated by ChEMBL					Assay Description Inhibition of SHH pathway in mouse Shh Light2 cells after 40 hrs by Gli-dependent luciferase reporter gene assay				Bioorg Med Chem Lett 21: 3608-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.103 BindingDB Entry DOI: 10.7270/Q28C9WM4
					More data for this Ligand-Target Pair

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