Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'rubin' and Initial = 'll'   

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
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302111 (CHEMBL572255 | N-(4-chloro-3-(1-methyl-1H-benzo[d]...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C)C(F)(F)F Show InChI InChI=1S/C22H16ClF3N4O/c1-12-14(8-10-19(27-12)22(24,25)26)21(31)28-13-7-9-16(23)15(11-13)20-29-17-5-3-4-6-18(17)30(20)2/h3-11H,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302139 (CHEMBL570273 | N-(3-(1H-benzo[d]imidazol-2-yl)-4-c...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C21H14ClF3N4O/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19/h2-10H,1H3,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302138 (CHEMBL570712 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 Show InChI InChI=1S/C19H15ClN2O3S/c1-26(24,25)15-8-5-13(6-9-15)19(23)22-14-7-10-17(20)16(12-14)18-4-2-3-11-21-18/h2-12H,1H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302123 (CHEMBL571353 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)C(F)(F)F Show InChI InChI=1S/C19H13ClF3N3O/c1-11-13(6-8-17(25-11)19(21,22)23)18(27)26-12-5-7-15(20)14(10-12)16-4-2-3-9-24-16/h2-10H,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302128 (CHEMBL570936 | N-(4-chloro-3-(quinoxalin-2-yl)phen...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1cnc2ccccc2n1)C(F)(F)F Show InChI InChI=1S/C22H14ClF3N4O/c1-12-14(7-9-20(28-12)22(24,25)26)21(31)29-13-6-8-16(23)15(10-13)19-11-27-17-4-2-3-5-18(17)30-19/h2-11H,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302113 (CHEMBL572005 | N-(3-(benzo[d]thiazol-2-yl)-4-chlor...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2s1)C(F)(F)F Show InChI InChI=1S/C21H13ClF3N3OS/c1-11-13(7-9-18(26-11)21(23,24)25)19(29)27-12-6-8-15(22)14(10-12)20-28-16-4-2-3-5-17(16)30-20/h2-10H,1H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302115 (CHEMBL569818 | N-(4-chloro-3-(2H-indazol-2-yl)phen...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-n1cc2ccccc2n1)C(F)(F)F Show InChI InChI=1S/C21H14ClF3N4O/c1-12-15(7-9-19(26-12)21(23,24)25)20(30)27-14-6-8-16(22)18(10-14)29-11-13-4-2-3-5-17(13)28-29/h2-11H,1H3,(H,27,30)	PDB UniProtKB/SwissProt 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
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302134 (2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)benzam...) Show SMILES Clc1ccccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 Show InChI InChI=1S/C18H12Cl2N2O/c19-15-6-2-1-5-13(15)18(23)22-12-8-9-16(20)14(11-12)17-7-3-4-10-21-17/h1-11H,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302137 (CHEMBL570711 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 Show InChI InChI=1S/C19H15ClN2O3S/c1-26(24,25)15-6-4-5-13(11-15)19(23)22-14-8-9-17(20)16(12-14)18-7-2-3-10-21-18/h2-12H,1H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302129 (CHEMBL570044 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES Cc1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(C)n1 Show InChI InChI=1S/C19H16ClN3O/c1-12-6-8-15(13(2)22-12)19(24)23-14-7-9-17(20)16(11-14)18-5-3-4-10-21-18/h3-11H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt 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
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302118 (CHEMBL571352 | N-(4-chloro-3-(phenylcarbamoyl)phen...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ccccc1)C(F)(F)F Show InChI InChI=1S/C21H15ClF3N3O2/c1-12-15(8-10-18(26-12)21(23,24)25)19(29)28-14-7-9-17(22)16(11-14)20(30)27-13-5-3-2-4-6-13/h2-11H,1H3,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302112 (CHEMBL583479 | N-(4-chloro-3-(1-methyl-4,5,6,7-tet...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2CCCCc2n1C)C(F)(F)F Show InChI InChI=1S/C22H20ClF3N4O/c1-12-14(8-10-19(27-12)22(24,25)26)21(31)28-13-7-9-16(23)15(11-13)20-29-17-5-3-4-6-18(17)30(20)2/h7-11H,3-6H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302114 (CHEMBL569817 | N-(4-chloro-3-(pyrazolo[1,5-a]pyrid...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1cc2ccccn2n1)C(F)(F)F Show InChI InChI=1S/C21H14ClF3N4O/c1-12-15(6-8-19(26-12)21(23,24)25)20(30)27-13-5-7-17(22)16(10-13)18-11-14-4-2-3-9-29(14)28-18/h2-11H,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302117 (CHEMBL583270 | N-(4-chloro-3-(imidazo[2,1-b]thiazo...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1cn2ccsc2n1)C(F)(F)F Show InChI InChI=1S/C19H12ClF3N4OS/c1-10-12(3-5-16(24-10)19(21,22)23)17(28)25-11-2-4-14(20)13(8-11)15-9-27-6-7-29-18(27)26-15/h2-9H,1H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302119 (CHEMBL572016 | N-(4-chloro-3-(5-methyl-1H-imidazol...) Show SMILES Cc1c[nH]c(n1)-c1cc(NC(=O)c2ccc(nc2C)C(F)(F)F)ccc1Cl Show InChI InChI=1S/C18H14ClF3N4O/c1-9-8-23-16(24-9)13-7-11(3-5-14(13)19)26-17(27)12-4-6-15(18(20,21)22)25-10(12)2/h3-8H,1-2H3,(H,23,24)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302120 (CHEMBL585532 | N-(4-chloro-3-(1H-pyrazol-1-yl)phen...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-n1cccn1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N4O/c1-10-12(4-6-15(23-10)17(19,20)21)16(26)24-11-3-5-13(18)14(9-11)25-8-2-7-22-25/h2-9H,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302110 (CHEMBL583032 | N-(4-chloro-3-(1H-indol-2-yl)phenyl...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1cc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C22H15ClF3N3O/c1-12-15(7-9-20(27-12)22(24,25)26)21(30)28-14-6-8-17(23)16(11-14)19-10-13-4-2-3-5-18(13)29-19/h2-11,29H,1H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302122 (CHEMBL578618 | N-(4-chloro-3-(1-methyl-1H-pyrazol-...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccn(C)n1)C(F)(F)F Show InChI InChI=1S/C18H14ClF3N4O/c1-10-12(4-6-16(23-10)18(20,21)22)17(27)24-11-3-5-14(19)13(9-11)15-7-8-26(2)25-15/h3-9H,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302131 (CHEMBL570021 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES Clc1ccc(NC(=O)c2cccnc2)cc1-c1ccccn1 Show InChI InChI=1S/C17H12ClN3O/c18-15-7-6-13(10-14(15)16-5-1-2-9-20-16)21-17(22)12-4-3-8-19-11-12/h1-11H,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302132 (CHEMBL569209 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES Clc1ccc(NC(=O)c2ccncc2)cc1-c1ccccn1 Show InChI InChI=1S/C17H12ClN3O/c18-15-5-4-13(11-14(15)16-3-1-2-8-20-16)21-17(22)12-6-9-19-10-7-12/h1-11H,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302133 (CHEMBL572230 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES Clc1ccc(NC(=O)c2ccccc2)cc1-c1ccccn1 Show InChI InChI=1S/C18H13ClN2O/c19-16-10-9-14(12-15(16)17-8-4-5-11-20-17)21-18(22)13-6-2-1-3-7-13/h1-12H,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302135 (3-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)benzam...) Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 Show InChI InChI=1S/C18H12Cl2N2O/c19-13-5-3-4-12(10-13)18(23)22-14-7-8-16(20)15(11-14)17-6-1-2-9-21-17/h1-11H,(H,22,23)	PDB UniProtKB/SwissProt 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
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302136 (4-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)benzam...) Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 Show InChI InChI=1S/C18H12Cl2N2O/c19-13-6-4-12(5-7-13)18(23)22-14-8-9-16(20)15(11-14)17-3-1-2-10-21-17/h1-11H,(H,22,23)	PDB UniProtKB/SwissProt 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
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302127 (CHEMBL572018 | N-(4-chloro-3-(pyrazin-2-yl)phenyl)...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1cnccn1)C(F)(F)F Show InChI InChI=1S/C18H12ClF3N4O/c1-10-12(3-5-16(25-10)18(20,21)22)17(27)26-11-2-4-14(19)13(8-11)15-9-23-6-7-24-15/h2-9H,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294083 (6-Bromo-N′-dodecanoyl-1-ethyl-4-hydroxy-2-ox...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(CC)c1=O Show InChI InChI=1S/C24H34BrN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-16-17(25)14-15-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302125 (CHEMBL568926 | N-(4-chloro-3-(pyridin-4-yl)phenyl)...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccncc1)C(F)(F)F Show InChI InChI=1S/C19H13ClF3N3O/c1-11-14(3-5-17(25-11)19(21,22)23)18(27)26-13-2-4-16(20)15(10-13)12-6-8-24-9-7-12/h2-10H,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294091 (7-Chloro-N′-dodecanoyl-1-ethyl-4-hydroxy-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O Show InChI InChI=1S/C24H34ClN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-15-14-17(25)16-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50302111 (CHEMBL572255 | N-(4-chloro-3-(1-methyl-1H-benzo[d]...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C)C(F)(F)F Show InChI InChI=1S/C22H16ClF3N4O/c1-12-14(8-10-19(27-12)22(24,25)26)21(31)28-13-7-9-16(23)15(11-13)20-29-17-5-3-4-6-18(17)30(20)2/h3-11H,1-2H3,(H,28,31)	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50384798 (CHEMBL2037482 | US9585879, 6 | US9757369, 6) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O Show InChI InChI=1S/C24H35N3O4/c1-3-5-6-7-8-9-10-11-12-17-20(28)25-26-23(30)21-22(29)18-15-13-14-16-19(18)27(4-2)24(21)31/h13-16,29H,3-12,17H2,1-2H3,(H,25,28)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302130 (CHEMBL576466 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES Clc1ccc(NC(=O)c2ccccn2)cc1-c1ccccn1 Show InChI InChI=1S/C17H12ClN3O/c18-14-8-7-12(11-13(14)15-5-1-3-9-19-15)21-17(22)16-6-2-4-10-20-16/h1-11H,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM339879 (7-Chloro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C22H30ClN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-13-12-15(23)14-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294087 (6-Chloro-N′-dodecanoyl-1-ethyl-4-hydroxy-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2n(CC)c1=O Show InChI InChI=1S/C24H34ClN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-16-17(25)14-15-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM339885 (6-Bromo-N′-dodecanoyl-4-hydroxy-2-oxo-2-hydr...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2[nH]c1=O Show InChI InChI=1S/C22H30BrN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM339886 (6-Chloro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C22H30ClN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294089 (7-Chloro-N′-dodecanoyl-4-hydroxy-1-methyl-2-...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(C)c1=O Show InChI InChI=1S/C23H32ClN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-14-13-16(24)15-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302116 (CHEMBL572251 | N-(4-chloro-3-(indolizin-2-yl)pheny...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1cc2ccccn2c1)C(F)(F)F Show InChI InChI=1S/C22H15ClF3N3O/c1-13-17(6-8-20(27-13)22(24,25)26)21(30)28-15-5-7-19(23)18(11-15)14-10-16-4-2-3-9-29(16)12-14/h2-12H,1H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294081 (6-Bromo-N′-dodecanoyl-4-hydroxy-1-methyl-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(C)c1=O Show InChI InChI=1S/C23H32BrN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-15-16(24)13-14-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Displacement of [125 I] CCK-8 from Cholecystokinin type B receptor of guinea pig cerebral cortex				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50239770 (CHEMBL4082305) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O Show InChI InChI=1S/C22H31N3O4/c1-2-3-4-5-6-7-8-9-10-15-18(26)24-25-22(29)19-20(27)16-13-11-12-14-17(16)23-21(19)28/h11-14H,2-10,15H2,1H3,(H,24,26)(H,25,29)(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294090 (7-Chloro-1-ethyl-4-hydroxy-N′-octanoyl-2-oxo...) Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O Show InChI InChI=1S/C20H26ClN3O4/c1-3-5-6-7-8-9-16(25)22-23-19(27)17-18(26)14-11-10-13(21)12-15(14)24(4-2)20(17)28/h10-12,26H,3-9H2,1-2H3,(H,22,25)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294076 (1-(cyclopropylmethyl)-N′-dodecanoyl-4-hydrox...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC2CC2)c1=O Show InChI InChI=1S/C26H37N3O4/c1-2-3-4-5-6-7-8-9-10-15-22(30)27-28-25(32)23-24(31)20-13-11-12-14-21(20)29(26(23)33)18-19-16-17-19/h11-14,19,31H,2-10,15-18H2,1H3,(H,27,30)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294077 (1-Benzyl-N′-dodecanoyl-4-hydroxy-2-oxo-1,2-d...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C29H37N3O4/c1-2-3-4-5-6-7-8-9-13-20-25(33)30-31-28(35)26-27(34)23-18-14-15-19-24(23)32(29(26)36)21-22-16-11-10-12-17-22/h10-12,14-19,34H,2-9,13,20-21H2,1H3,(H,30,33)(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM339880 (6-Fluoro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(F)ccc2[nH]c1=O Show InChI InChI=1S/C22H30FN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294085 (6-Chloro-N′-dodecanoyl-4-hydroxy-1-methyl-2-...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2n(C)c1=O Show InChI InChI=1S/C23H32ClN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-15-16(24)13-14-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294092 (1-Benzyl-7-chloro-4-hydroxy-N′-octanoyl-2-ox...) Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C25H28ClN3O4/c1-2-3-4-5-9-12-21(30)27-28-24(32)22-23(31)19-14-13-18(26)15-20(19)29(25(22)33)16-17-10-7-6-8-11-17/h6-8,10-11,13-15,31H,2-5,9,12,16H2,1H3,(H,27,30)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294093 (1-Benzyl-7-chloro-N′dodecanoyl-4-hydroxy-2-o...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C29H36ClN3O4/c1-2-3-4-5-6-7-8-9-13-16-25(34)31-32-28(36)26-27(35)23-18-17-22(30)19-24(23)33(29(26)37)20-21-14-11-10-12-15-21/h10-12,14-15,17-19,35H,2-9,13,16,20H2,1H3,(H,31,34)(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294080 (6-Bromo-4-hydroxy-1-methyl-N′-octanoyl-2-oxo...) Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(C)c1=O Show InChI InChI=1S/C19H24BrN3O4/c1-3-4-5-6-7-8-15(24)21-22-18(26)16-17(25)13-11-12(20)9-10-14(13)23(2)19(16)27/h9-11,25H,3-8H2,1-2H3,(H,21,24)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM294088 (7-Chloro-4-hydroxy-1-methyl-N′-octanoyl-2-ox...) Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(C)c1=O Show InChI InChI=1S/C19H24ClN3O4/c1-3-4-5-6-7-8-15(24)21-22-18(26)16-17(25)13-10-9-12(20)11-14(13)23(2)19(16)27/h9-11,25H,3-8H2,1-2H3,(H,21,24)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50239761 (CHEMBL4102484) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#7]-[#6](=O)-c1c(-[#8])c2ccccc2n(-[#6]\[#6]=[#6](\[#6])-[#6])c1=O Show InChI InChI=1S/C23H31N3O4/c1-4-5-6-7-8-13-19(27)24-25-22(29)20-21(28)17-11-9-10-12-18(17)26(23(20)30)15-14-16(2)3/h9-12,14,28H,4-8,13,15H2,1-3H3,(H,24,27)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM339875 (N′-Dodecanoyl-4-hydroxy-1-methyl-2-oxo-1,2-d...) Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O Show InChI InChI=1S/C23H33N3O4/c1-3-4-5-6-7-8-9-10-11-16-19(27)24-25-22(29)20-21(28)17-14-12-13-15-18(17)26(2)23(20)30/h12-15,28H,3-11,16H2,1-2H3,(H,24,27)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain. Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...				J Med Chem 60: 4983-5001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00395 BindingDB Entry DOI: 10.7270/Q2NC63B9
					More data for this Ligand-Target Pair

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