Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50046455   

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))	BDBM50113484 (CHEMBL3604610) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H15ClN4O2S/c1-12(27)24-21-26-16-8-7-14(10-18(16)29-21)15-9-17(19(22)23-11-15)25-20(28)13-5-3-2-4-6-13/h2-11H,1H3,(H,25,28)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement ...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50113483 (CHEMBL3604612) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H14Cl2N4O2S/c1-11(28)25-21-27-16-6-5-12(9-18(16)30-21)14-8-17(19(23)24-10-14)26-20(29)13-3-2-4-15(22)7-13/h2-10H,1H3,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement ...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					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	16	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Mus musculus)	BDBM50113483 (CHEMBL3604612) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H14Cl2N4O2S/c1-11(28)25-21-27-16-6-5-12(9-18(16)30-21)14-8-17(19(23)24-10-14)26-20(29)13-3-2-4-15(22)7-13/h2-10H,1H3,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113484 (CHEMBL3604610) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H15ClN4O2S/c1-12(27)24-21-26-16-8-7-14(10-18(16)29-21)15-9-17(19(22)23-11-15)25-20(28)13-5-3-2-4-6-13/h2-11H,1H3,(H,25,28)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113489 (CHEMBL3604621) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(C#N)c2ccccc2)c1 Show InChI InChI=1S/C22H16ClN5OS/c1-13(29)26-22-28-17-8-7-15(10-20(17)30-22)16-9-18(21(23)25-12-16)27-19(11-24)14-5-3-2-4-6-14/h2-10,12,19,27H,1H3,(H,26,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50343200 (CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113486 (CHEMBL3604624) Show SMILES Clc1ncc(cc1NC(=O)c1ccccc1)-c1ccc2nc(NCC3CC3)sc2c1 Show InChI InChI=1S/C23H19ClN4OS/c24-21-19(27-22(29)15-4-2-1-3-5-15)10-17(13-25-21)16-8-9-18-20(11-16)30-23(28-18)26-12-14-6-7-14/h1-5,8-11,13-14H,6-7,12H2,(H,26,28)(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113487 (CHEMBL3604623) Show SMILES Clc1cccc(c1)C(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NC3CC3)sc2c1 Show InChI InChI=1S/C22H16Cl2N4OS/c23-15-3-1-2-13(8-15)21(29)27-18-9-14(11-25-20(18)24)12-4-7-17-19(10-12)30-22(28-17)26-16-5-6-16/h1-4,7-11,16H,5-6H2,(H,26,28)(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113502 (CHEMBL3604616) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H14ClFN4O2S/c1-11(28)25-21-27-16-7-4-13(9-18(16)30-21)14-8-17(19(22)24-10-14)26-20(29)12-2-5-15(23)6-3-12/h2-10H,1H3,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113485 (CHEMBL3604625) Show SMILES Clc1cccc(c1)C(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NCC3CC3)sc2c1 Show InChI InChI=1S/C23H18Cl2N4OS/c24-17-3-1-2-15(8-17)22(30)28-19-9-16(12-26-21(19)25)14-6-7-18-20(10-14)31-23(29-18)27-11-13-4-5-13/h1-3,6-10,12-13H,4-5,11H2,(H,27,29)(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113488 (CHEMBL3604622) Show SMILES Clc1ncc(cc1NC(=O)c1ccccc1)-c1ccc2nc(NC3CC3)sc2c1 Show InChI InChI=1S/C22H17ClN4OS/c23-20-18(26-21(28)13-4-2-1-3-5-13)10-15(12-24-20)14-6-9-17-19(11-14)29-22(27-17)25-16-7-8-16/h1-6,9-12,16H,7-8H2,(H,25,27)(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50113489 (CHEMBL3604621) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(C#N)c2ccccc2)c1 Show InChI InChI=1S/C22H16ClN5OS/c1-13(29)26-22-28-17-8-7-15(10-20(17)30-22)16-9-18(21(23)25-12-16)27-19(11-24)14-5-3-2-4-6-14/h2-10,12,19,27H,1H3,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway 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
Soochow University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as reduction in luminescence signaling by kinase-Glo plus luminescent kinase assay				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113501 (CHEMBL3604617) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccc(C)cc2)c1 Show InChI InChI=1S/C22H17ClN4O2S/c1-12-3-5-14(6-4-12)21(29)26-18-9-16(11-24-20(18)23)15-7-8-17-19(10-15)30-22(27-17)25-13(2)28/h3-11H,1-2H3,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113490 (CHEMBL3604620) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NCc2ccccc2)c1 Show InChI InChI=1S/C21H17ClN4OS/c1-13(27)25-21-26-17-8-7-15(10-19(17)28-21)16-9-18(20(22)24-12-16)23-11-14-5-3-2-4-6-14/h2-10,12,23H,11H2,1H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50113483 (CHEMBL3604612) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H14Cl2N4O2S/c1-11(28)25-21-27-16-6-5-12(9-18(16)30-21)14-8-17(19(23)24-10-14)26-20(29)13-3-2-4-15(22)7-13/h2-10H,1H3,(H,26,29)(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as reduction in luminescence signaling by kinase-Glo plus luminescent kinase assay				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113499 (CHEMBL3604619) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C22H17ClN4O2S/c1-13(28)25-22-27-17-8-7-15(11-19(17)30-22)16-10-18(21(23)24-12-16)26-20(29)9-14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113506 (CHEMBL3604611) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C21H14Cl2N4O2S/c1-11(28)25-21-27-16-7-6-12(9-18(16)30-21)13-8-17(19(23)24-10-13)26-20(29)14-4-2-3-5-15(14)22/h2-10H,1H3,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113503 (CHEMBL3604615) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C21H14ClFN4O2S/c1-11(28)25-21-27-16-6-5-12(9-18(16)30-21)14-8-17(19(22)24-10-14)26-20(29)13-3-2-4-15(23)7-13/h2-10H,1H3,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113505 (CHEMBL3604613) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H14Cl2N4O2S/c1-11(28)25-21-27-16-7-4-13(9-18(16)30-21)14-8-17(19(23)24-10-14)26-20(29)12-2-5-15(22)6-3-12/h2-10H,1H3,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113500 (CHEMBL3604618) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)C2CC2)c1 Show InChI InChI=1S/C18H15ClN4O2S/c1-9(24)21-18-23-13-5-4-11(7-15(13)26-18)12-6-14(16(19)20-8-12)22-17(25)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,25)(H,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50113504 (CHEMBL3604614) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccccc2F)c1 Show InChI InChI=1S/C21H14ClFN4O2S/c1-11(28)25-21-27-16-7-6-12(9-18(16)30-21)13-8-17(19(22)24-10-13)26-20(29)14-4-2-3-5-15(14)23/h2-10H,1H3,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...				Bioorg Med Chem Lett 25: 3665-70 (2015) Article DOI: 10.1016/j.bmcl.2015.06.049 BindingDB Entry DOI: 10.7270/Q27S7QJ7
					More data for this Ligand-Target Pair