Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50047997   

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 (Mus musculus)	BDBM50200480 (CHEMBL3965352) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C |r| Show InChI InChI=1S/C28H29ClN4O/c1-16-9-12-21(26-20(16)13-10-17(2)30-26)18(3)28(34)31-19-11-14-23(29)22(15-19)27-32-24-7-5-6-8-25(24)33(27)4/h5-8,10-11,13-16,18,21H,9,12H2,1-4H3,(H,31,34)/t16-,18-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.5	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
Smoothened homolog (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	39	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				3D Structure (crystal)
Smoothened homolog (Mus musculus)	BDBM50200484 (CHEMBL3960082) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C27H27ClN4O/c1-15-8-11-20(25-19(15)12-9-16(2)29-25)17(3)27(33)30-18-10-13-22(28)21(14-18)26-31-23-6-4-5-7-24(23)32-26/h4-7,9-10,12-15,17,20H,8,11H2,1-3H3,(H,30,33)(H,31,32)/t15-,17-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	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
Smoothened homolog (Mus musculus)	BDBM50200482 (CHEMBL3978393) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccc(OC(F)(F)F)cc2n1C |r| Show InChI InChI=1S/C29H28ClF3N4O2/c1-15-5-9-21(26-20(15)10-6-16(2)34-26)17(3)28(38)35-18-7-11-23(30)22(13-18)27-36-24-12-8-19(39-29(31,32)33)14-25(24)37(27)4/h6-8,10-15,17,21H,5,9H2,1-4H3,(H,35,38)/t15-,17-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	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
Smoothened homolog (Mus musculus)	BDBM50200483 (CHEMBL3979327) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(OC(F)(F)F)ccc2n1C |r| Show InChI InChI=1S/C29H28ClF3N4O2/c1-15-5-9-21(26-20(15)10-6-16(2)34-26)17(3)28(38)35-18-7-11-23(30)22(13-18)27-36-24-14-19(39-29(31,32)33)8-12-25(24)37(27)4/h6-8,10-15,17,21H,5,9H2,1-4H3,(H,35,38)/t15-,17-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	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
Smoothened homolog (Mus musculus)	BDBM50200481 (CHEMBL3986017) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(CN3CCOCC3)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C29H33ClN4O2/c1-19-6-9-24(28-23(19)10-7-22(32-28)18-34-13-15-36-16-14-34)20(2)29(35)33-21-8-11-26(30)25(17-21)27-5-3-4-12-31-27/h3-5,7-8,10-12,17,19-20,24H,6,9,13-16,18H2,1-2H3,(H,33,35)/t19-,20-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	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
Smoothened homolog (Mus musculus)	BDBM50200493 (CHEMBL3951963) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13C(O[C@]2(C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)O4 |r| Show InChI InChI=1S/C26H29ClN2O5/c1-15-7-10-21-25(3,32-23-26(21)18(15)11-12-24(2,31-23)33-34-26)22(30)29-16-8-9-19(27)17(14-16)20-6-4-5-13-28-20/h4-6,8-9,13-15,18,21,23H,7,10-12H2,1-3H3,(H,29,30)/t15-,18+,21+,23?,24-,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	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
Smoothened homolog (Mus musculus)	BDBM50200492 (CHEMBL3933195) Show SMILES [H][C@]12O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@@H](C)[C@@H](CC(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)O1)[C@@]24O3 |r| Show InChI InChI=1S/C28H33ClN2O4/c1-16-7-9-21-17(2)24(33-26-28(21)20(16)11-12-27(3,34-26)35-28)15-25(32)31-18-8-10-22(29)19(14-18)23-6-4-5-13-30-23/h4-6,8,10,13-14,16-17,20-21,24,26H,7,9,11-12,15H2,1-3H3,(H,31,32)/t16-,17-,20+,21+,24-,26-,27-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	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
Smoothened homolog (Mus musculus)	BDBM50200478 (CHEMBL3967752) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-15-7-10-20(24-19(15)11-8-16(2)28-24)17(3)25(30)29-18-9-12-22(26)21(14-18)23-6-4-5-13-27-23/h4-6,8-9,11-15,17,20H,7,10H2,1-3H3,(H,29,30)/t15-,17-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	212	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
Smoothened homolog (Mus musculus)	BDBM50200500 (CHEMBL3968327) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc(no1)C1CC1 |r| Show InChI InChI=1S/C25H27ClN4O2/c1-13-4-9-19(22-18(13)10-5-14(2)27-22)15(3)24(31)28-17-8-11-21(26)20(12-17)25-29-23(30-32-25)16-6-7-16/h5,8,10-13,15-16,19H,4,6-7,9H2,1-3H3,(H,28,31)/t13-,15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	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
Smoothened homolog (Mus musculus)	BDBM50200498 (CHEMBL3924243) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](CC(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)[C@@H]2C)O4 |r| Show InChI InChI=1S/C28H33ClN2O5/c1-16-7-9-21-17(2)24(33-26-28(21)20(16)11-12-27(3,34-26)35-36-28)15-25(32)31-18-8-10-22(29)19(14-18)23-6-4-5-13-30-23/h4-6,8,10,13-14,16-17,20-21,24,26H,7,9,11-12,15H2,1-3H3,(H,31,32)/t16-,17-,20+,21+,24-,26-,27-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	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
Smoothened homolog (Mus musculus)	BDBM50200494 (CHEMBL3980443) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H26ClN3O2/c1-15-8-11-20(25-19(15)12-9-16(2)29-25)17(3)26(32)30-18-10-13-22(28)21(14-18)27-31-23-6-4-5-7-24(23)33-27/h4-7,9-10,12-15,17,20H,8,11H2,1-3H3,(H,30,32)/t15-,17-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	243	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
Smoothened homolog (Mus musculus)	BDBM50200485 (CHEMBL3941556) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nnc(s1)-c1ccnn1C |r| Show InChI InChI=1S/C26H27ClN6OS/c1-14-5-8-19(23-18(14)9-6-15(2)29-23)16(3)24(34)30-17-7-10-21(27)20(13-17)25-31-32-26(35-25)22-11-12-28-33(22)4/h6-7,9-14,16,19H,5,8H2,1-4H3,(H,30,34)/t14-,16-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	265	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
Smoothened homolog (Mus musculus)	BDBM50200495 (CHEMBL3949509) Show SMILES COC(=O)[C@H](C)c1ccc(C)c2ccc(nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C26H22ClN3O3/c1-15-7-9-19(16(2)26(32)33-3)24-18(15)10-12-23(30-24)25(31)29-17-8-11-21(27)20(14-17)22-6-4-5-13-28-22/h4-14,16H,1-3H3,(H,29,31)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	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
Smoothened homolog (Mus musculus)	BDBM50200499 (CHEMBL3932585) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H26ClN3OS/c1-15-8-11-20(25-19(15)12-9-16(2)29-25)17(3)26(32)30-18-10-13-22(28)21(14-18)27-31-23-6-4-5-7-24(23)33-27/h4-7,9-10,12-15,17,20H,8,11H2,1-3H3,(H,30,32)/t15-,17-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	282	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
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 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
Smoothened homolog (Mus musculus)	BDBM50200488 (CHEMBL3890559) Show SMILES [H][C@]1(CC[C@@H](C)[C@]2([H])Cc3cnn(c3C[C@]12[H])-c1ccccc1)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C32H33ClN4O/c1-20-11-13-25(27-18-31-22(16-26(20)27)19-35-37(31)24-8-4-3-5-9-24)21(2)32(38)36-23-12-14-29(33)28(17-23)30-10-6-7-15-34-30/h3-10,12,14-15,17,19-21,25-27H,11,13,16,18H2,1-2H3,(H,36,38)/t20-,21-,25+,26+,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	327	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
Smoothened homolog (Mus musculus)	BDBM50200496 (CHEMBL3977846) Show SMILES [H][C@]1(CC[C@@H](C)[C@]2([H])Cc3c(C[C@]12[H])n(C)c1ccccc31)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C32H34ClN3O/c1-19-11-13-22(25-18-31-26(17-24(19)25)23-8-4-5-10-30(23)36(31)3)20(2)32(37)35-21-12-14-28(33)27(16-21)29-9-6-7-15-34-29/h4-10,12,14-16,19-20,22,24-25H,11,13,17-18H2,1-3H3,(H,35,37)/t19-,20-,22+,24+,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	476	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
Smoothened homolog (Mus musculus)	BDBM50200486 (CHEMBL3976847) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nnc(o1)-c1ccnn1C |r| Show InChI InChI=1S/C26H27ClN6O2/c1-14-5-8-19(23-18(14)9-6-15(2)29-23)16(3)24(34)30-17-7-10-21(27)20(13-17)25-31-32-26(35-25)22-11-12-28-33(22)4/h6-7,9-14,16,19H,5,8H2,1-4H3,(H,30,34)/t14-,16-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	588	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
Smoothened homolog (Mus musculus)	BDBM50200490 (CHEMBL3979853) 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/C25H31ClN2O2/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/h3-5,7,11-13,15-16,18-21,29H,6,8-10,14H2,1-2H3,(H,28,30)/t15-,16-,18?,19+,20+,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
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
Smoothened homolog (Mus musculus)	BDBM50200489 (CHEMBL3959631) Show SMILES [H][C@]1(CC[C@@H](C)[C@]2([H])Cc3sc(C)nc3C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C27H30ClN3OS/c1-15-7-9-19(21-13-25-26(14-20(15)21)33-17(3)30-25)16(2)27(32)31-18-8-10-23(28)22(12-18)24-6-4-5-11-29-24/h4-6,8,10-12,15-16,19-21H,7,9,13-14H2,1-3H3,(H,31,32)/t15-,16-,19+,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
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
Smoothened homolog (Mus musculus)	BDBM50200487 (CHEMBL3948161) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccc(cn1)N1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C31H37ClN4O2/c1-18-6-10-26(30-25(18)11-7-19(2)34-30)22(5)31(37)35-23-8-12-28(32)27(14-23)29-13-9-24(15-33-29)36-16-20(3)38-21(4)17-36/h7-9,11-15,18,20-22,26H,6,10,16-17H2,1-5H3,(H,35,37)/t18-,20-,21+,22-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
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
Smoothened homolog (Mus musculus)	BDBM50200479 (CHEMBL3906154) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1noc(C)n1 |r| Show InChI InChI=1S/C23H25ClN4O2/c1-12-5-8-18(21-17(12)9-6-13(2)25-21)14(3)23(29)27-16-7-10-20(24)19(11-16)22-26-15(4)30-28-22/h6-7,9-12,14,18H,5,8H2,1-4H3,(H,27,29)/t12-,14-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
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
Smoothened homolog (Mus musculus)	BDBM50200477 (CHEMBL3909304) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1cccc(c1C)-c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C28H29F3N2O2/c1-16-8-14-24(26-22(16)15-9-17(2)32-26)19(4)27(34)33-25-7-5-6-23(18(25)3)20-10-12-21(13-11-20)35-28(29,30)31/h5-7,9-13,15-16,19,24H,8,14H2,1-4H3,(H,33,34)/t16-,19-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
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
Smoothened homolog (Mus musculus)	BDBM50200475 (CHEMBL3913172) Show SMILES [H][C@]1(CC[C@@H](C)[C@]2([H])CCC(=O)C=C12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r,t:12| Show InChI InChI=1S/C25H27ClN2O2/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/h3-5,7,11-16,19-20H,6,8-10H2,1-2H3,(H,28,30)/t15-,16-,19+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
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
Smoothened homolog (Mus musculus)	BDBM50200476 (CHEMBL3950902) Show SMILES [H][C@]1(CC[C@@H](C)[C@]2([H])C=CC(=O)C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r,c:8| Show InChI InChI=1S/C25H27ClN2O2/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/h3-5,7-8,10-13,15-16,19-21H,6,9,14H2,1-2H3,(H,28,30)/t15-,16-,19+,20+,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	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
Smoothened homolog (Mus musculus)	BDBM50200501 (CHEMBL3890551) Show SMILES [H][C@]1(CC[C@@H](C)[C@]2([H])Cc3sc(NC(C)=O)nc3C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C28H31ClN4O2S/c1-15-7-9-19(21-13-25-26(14-20(15)21)36-28(33-25)31-17(3)34)16(2)27(35)32-18-8-10-23(29)22(12-18)24-6-4-5-11-30-24/h4-6,8,10-12,15-16,19-21H,7,9,13-14H2,1-3H3,(H,32,35)(H,31,33,34)/t15-,16-,19+,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50200481 (CHEMBL3986017) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(CN3CCOCC3)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C29H33ClN4O2/c1-19-6-9-24(28-23(19)10-7-22(32-28)18-34-13-15-36-16-14-34)20(2)29(35)33-21-8-11-26(30)25(17-21)27-5-3-4-12-31-27/h3-5,7-8,10-12,17,19-20,24H,6,9,13-16,18H2,1-2H3,(H,33,35)/t19-,20-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+3	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 human ERG				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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50200478 (CHEMBL3967752) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-15-7-10-20(24-19(15)11-8-16(2)28-24)17(3)25(30)29-18-9-12-22(26)21(14-18)23-6-4-5-13-27-23/h4-6,8-9,11-15,17,20H,7,10H2,1-3H3,(H,29,30)/t15-,17-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	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 human ERG				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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50200498 (CHEMBL3924243) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](CC(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)[C@@H]2C)O4 |r| Show InChI InChI=1S/C28H33ClN2O5/c1-16-7-9-21-17(2)24(33-26-28(21)20(16)11-12-27(3,34-26)35-36-28)15-25(32)31-18-8-10-22(29)19(14-18)23-6-4-5-13-30-23/h4-6,8,10,13-14,16-17,20-21,24,26H,7,9,11-12,15H2,1-3H3,(H,31,32)/t16-,17-,20+,21+,24-,26-,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.50E+4	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 human ERG				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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50200480 (CHEMBL3965352) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C |r| Show InChI InChI=1S/C28H29ClN4O/c1-16-9-12-21(26-20(16)13-10-17(2)30-26)18(3)28(34)31-19-11-14-23(29)22(15-19)27-32-24-7-5-6-8-25(24)33(27)4/h5-8,10-11,13-16,18,21H,9,12H2,1-4H3,(H,31,34)/t16-,18-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+4	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 human ERG				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
Smoothened homolog (Mus musculus)	BDBM50200480 (CHEMBL3965352) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C |r| Show InChI InChI=1S/C28H29ClN4O/c1-16-9-12-21(26-20(16)13-10-17(2)30-26)18(3)28(34)31-19-11-14-23(29)22(15-19)27-32-24-7-5-6-8-25(24)33(27)4/h5-8,10-11,13-16,18,21H,9,12H2,1-4H3,(H,31,34)/t16-,18-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 100 nM measured after ...				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
Smoothened homolog (Mus musculus)	BDBM50200480 (CHEMBL3965352) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C |r| Show InChI InChI=1S/C28H29ClN4O/c1-16-9-12-21(26-20(16)13-10-17(2)30-26)18(3)28(34)31-19-11-14-23(29)22(15-19)27-32-24-7-5-6-8-25(24)33(27)4/h5-8,10-11,13-16,18,21H,9,12H2,1-4H3,(H,31,34)/t16-,18-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 50 nM measured after 3...				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
Smoothened homolog (Mus musculus)	BDBM50200480 (CHEMBL3965352) Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C |r| Show InChI InChI=1S/C28H29ClN4O/c1-16-9-12-21(26-20(16)13-10-17(2)30-26)18(3)28(34)31-19-11-14-23(29)22(15-19)27-32-24-7-5-6-8-25(24)33(27)4/h5-8,10-11,13-16,18,21H,9,12H2,1-4H3,(H,31,34)/t16-,18-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	137	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 500 nM measured after ...				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