Compile Data Set for Download or QSAR

Found 778 hits with Last Name = 'mclay' and Initial = 'im'   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50339718 ((S)-2-(5-chlorothiophen-2-yl)-N-(2-oxo-1-(1,2,3,4-...) Show SMILES Clc1ccc(\C=C\S(=O)(=O)N[C@H]2CCN(C2=O)c2ccc3CNCCc3c2)s1 |r| Show InChI InChI=1S/C19H20ClN3O3S2/c20-18-4-3-16(27-18)7-10-28(25,26)22-17-6-9-23(19(17)24)15-2-1-14-12-21-8-5-13(14)11-15/h1-4,7,10-11,17,21-22H,5-6,8-9,12H2/b10-7+/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339708 ((S)-2-(5-chlorothiophen-2-yl)-N-(1-(5-fluoro-1,2,3...) Show SMILES Fc1c2CCNCc2ccc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |r| Show InChI InChI=1S/C19H19ClFN3O3S2/c20-17-4-2-13(28-17)7-10-29(26,27)23-15-6-9-24(19(15)25)16-3-1-12-11-22-8-5-14(12)18(16)21/h1-4,7,10,15,22-23H,5-6,8-9,11H2/b10-7+/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339713 ((S)-6-chloro-N-(2-oxo-1-(2,3,4,5-tetrahydro-1H-ben...) Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CNCCCc2c1 |r| Show InChI InChI=1S/C24H24ClN3O3S/c25-20-6-3-18-14-22(8-5-17(18)12-20)32(30,31)27-23-9-11-28(24(23)29)21-7-4-19-15-26-10-1-2-16(19)13-21/h3-8,12-14,23,26-27H,1-2,9-11,15H2/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339716 ((S)-6-chloro-N-(1-(6-fluoro-2,3,4,5-tetrahydro-1H-...) Show SMILES Fc1c2CCCNCc2ccc1N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-21-9-11-29(24(21)30)22-8-5-17-14-27-10-1-2-20(17)23(22)26/h3-8,12-13,21,27-28H,1-2,9-11,14H2/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339714 ((S)-3-chloro-N-(2-oxo-1-(2,3,4,5-tetrahydro-1H-ben...) Show SMILES Clc1c[nH]c2cc(ccc12)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CNCCCc2c1 |r| Show InChI InChI=1S/C22H23ClN4O3S/c23-19-13-25-21-11-17(5-6-18(19)21)31(29,30)26-20-7-9-27(22(20)28)16-4-3-15-12-24-8-1-2-14(15)10-16/h3-6,10-11,13,20,24-26H,1-2,7-9,12H2/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339711 ((S)-3-chloro-N-(1-(7-fluoro-1,2,3,4-tetrahydroisoq...) Show SMILES Fc1cc2CNCCc2cc1N1CC[C@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)C1=O |r| Show InChI InChI=1S/C21H20ClFN4O3S/c22-16-11-25-19-9-14(1-2-15(16)19)31(29,30)26-18-4-6-27(21(18)28)20-8-12-3-5-24-10-13(12)7-17(20)23/h1-2,7-9,11,18,24-26H,3-6,10H2/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339712 ((S,E)-2-(5-chlorothiophen-2-yl)-N-(2-oxo-1-(2,3,4,...) Show SMILES Clc1ccc(\C=C\S(=O)(=O)N[C@H]2CCN(C2=O)c2ccc3CNCCCc3c2)s1 |r| Show InChI InChI=1S/C20H22ClN3O3S2/c21-19-6-5-17(28-19)8-11-29(26,27)23-18-7-10-24(20(18)25)16-4-3-15-13-22-9-1-2-14(15)12-16/h3-6,8,11-12,18,22-23H,1-2,7,9-10,13H2/b11-8+/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339719 ((S)-6-chloro-N-(2-oxo-1-(1,2,3,4-tetrahydroisoquin...) Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CNCCc2c1 |r| Show InChI InChI=1S/C23H22ClN3O3S/c24-19-4-1-16-13-21(6-3-15(16)11-19)31(29,30)26-22-8-10-27(23(22)28)20-5-2-18-14-25-9-7-17(18)12-20/h1-6,11-13,22,25-26H,7-10,14H2/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339717 ((S)-2-(5-chlorothiophen-2-yl)-N-(1-(2-methyl-1,2,3...) Show SMILES CN1CCc2cc(ccc2C1)N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |r| Show InChI InChI=1S/C20H22ClN3O3S2/c1-23-9-6-14-12-16(3-2-15(14)13-23)24-10-7-18(20(24)25)22-29(26,27)11-8-17-4-5-19(21)28-17/h2-5,8,11-12,18,22H,6-7,9-10,13H2,1H3/b11-8+/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339720 ((S)-3-chloro-N-(2-oxo-1-(1,2,3,4-tetrahydroisoquin...) Show SMILES Clc1c[nH]c2cc(ccc12)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CNCCc2c1 |r| Show InChI InChI=1S/C21H21ClN4O3S/c22-18-12-24-20-10-16(3-4-17(18)20)30(28,29)25-19-6-8-26(21(19)27)15-2-1-14-11-23-7-5-13(14)9-15/h1-4,9-10,12,19,23-25H,5-8,11H2/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339706 ((S)-6-chloro-N-(1-(5-fluoro-1,2,3,4-tetrahydroisoq...) Show SMILES Fc1c2CCNCc2ccc1N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C23H21ClFN3O3S/c24-17-4-1-15-12-18(5-2-14(15)11-17)32(30,31)27-20-8-10-28(23(20)29)21-6-3-16-13-26-9-7-19(16)22(21)25/h1-6,11-12,20,26-27H,7-10,13H2/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50339715 ((S)-2-(5-chlorothiophen-2-yl)-N-(1-(6-fluoro-2,3,4...) Show SMILES Fc1c2CCCNCc2ccc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |r| Show InChI InChI=1S/C20H21ClFN3O3S2/c21-18-6-4-14(29-18)8-11-30(27,28)24-16-7-10-25(20(16)26)17-5-3-13-12-23-9-1-2-15(13)19(17)22/h3-6,8,11,16,23-24H,1-2,7,9-10,12H2/b11-8+/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339710 ((S)-3-chloro-N-(1-(5-fluoro-1,2,3,4-tetrahydroisoq...) Show SMILES Fc1c2CCNCc2ccc1N1CC[C@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)C1=O |r| Show InChI InChI=1S/C21H20ClFN4O3S/c22-16-11-25-18-9-13(2-3-15(16)18)31(29,30)26-17-6-8-27(21(17)28)19-4-1-12-10-24-7-5-14(12)20(19)23/h1-4,9,11,17,24-26H,5-8,10H2/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339709 ((S)-2-(5-chlorothiophen-2-yl)-N-(1-(7-fluoro-1,2,3...) Show SMILES Fc1cc2CNCCc2cc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |r| Show InChI InChI=1S/C19H19ClFN3O3S2/c20-18-2-1-14(28-18)5-8-29(26,27)23-16-4-7-24(19(16)25)17-10-12-3-6-22-11-13(12)9-15(17)21/h1-2,5,8-10,16,22-23H,3-4,6-7,11H2/b8-5+/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50306134 (6-chloro-N-((S)-1-(2-fluoro-4-((S)-1-(methylamino)...) Show SMILES CN[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r| Show InChI InChI=1S/C23H23ClFN3O3S/c1-14(26-2)15-5-8-22(20(25)13-15)28-10-9-21(23(28)29)27-32(30,31)19-7-4-16-11-18(24)6-3-17(16)12-19/h3-8,11-14,21,26-27H,9-10H2,1-2H3/t14-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339707 ((S)-6-chloro-N-(1-(7-fluoro-1,2,3,4-tetrahydroisoq...) Show SMILES Fc1cc2CNCCc2cc1N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C23H21ClFN3O3S/c24-18-3-1-15-10-19(4-2-14(15)9-18)32(30,31)27-21-6-8-28(23(21)29)22-12-16-5-7-26-13-17(16)11-20(22)25/h1-4,9-12,21,26-27H,5-8,13H2/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339721 ((S)-2-(5-chlorothiophen-2-yl)-N-(2-oxo-1-(1,2,3,4-...) Show SMILES Clc1ccc(\C=C\S(=O)(=O)N[C@H]2CCN(C2=O)c2ccc3CCNCc3c2)s1 |r| Show InChI InChI=1S/C19H20ClN3O3S2/c20-18-4-3-16(27-18)7-10-28(25,26)22-17-6-9-23(19(17)24)15-2-1-13-5-8-21-12-14(13)11-15/h1-4,7,10-11,17,21-22H,5-6,8-9,12H2/b10-7+/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339722 ((S)-6-chloro-N-(2-oxo-1-(1,2,3,4-tetrahydroisoquin...) Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CCNCc2c1 |r| Show InChI InChI=1S/C23H22ClN3O3S/c24-19-4-1-17-13-21(6-3-16(17)11-19)31(29,30)26-22-8-10-27(23(22)28)20-5-2-15-7-9-25-14-18(15)12-20/h1-6,11-13,22,25-26H,7-10,14H2/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50339723 ((S)-3-chloro-N-(2-oxo-1-(1,2,3,4-tetrahydroisoquin...) Show SMILES Clc1c[nH]c2cc(ccc12)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CCNCc2c1 |r| Show InChI InChI=1S/C21H21ClN4O3S/c22-18-12-24-20-10-16(3-4-17(18)20)30(28,29)25-19-6-8-26(21(19)27)15-2-1-13-5-7-23-11-14(13)9-15/h1-4,9-10,12,19,23-25H,5-8,11H2/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1588-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.129 BindingDB Entry DOI: 10.7270/Q2RN385P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50354851 (FLUTICASONE FUROATE | Veramyst) Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF |r,c:12,t:8| Show InChI InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	n/a	n/a	0.0398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414604 (CHEMBL551816) Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0790	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50417875 (CHEMBL1668063) Show SMILES CCN(C[C@](O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Center Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 21: 1126-33 (2011) Article DOI: 10.1016/j.bmcl.2010.12.121 BindingDB Entry DOI: 10.7270/Q2571D8H
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50417887 (CHEMBL1668077) Show SMILES CC(C)Nc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r| Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-9-8-10-25(15-24)34-28-14-20(4)13-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)11-19(3)12-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Center Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 21: 1126-33 (2011) Article DOI: 10.1016/j.bmcl.2010.12.121 BindingDB Entry DOI: 10.7270/Q2571D8H
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414609 (CHEMBL550730) Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C26H23F5N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)28)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(27)11-13-18/h3-14,32,37H,2,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50473625 (CHEMBL69319) Show SMILES CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(23.19,-11.78,;22.43,-10.44,;23.2,-9.1,;20.89,-10.44,;20.11,-11.77,;20.12,-9.1,;20.89,-7.77,;19.36,-7.77,;17.82,-7.77,;17.05,-9.1,;17.82,-10.44,;19.34,-10.44,;15.51,-9.1,;14.6,-10.34,;13.12,-9.87,;13.14,-8.31,;14.61,-7.84,;11.81,-7.54,;11.81,-5.99,;10.46,-5.22,;9.13,-5.99,;9.13,-7.54,;7.79,-8.31,;6.46,-7.54,;5.12,-8.31,;4.36,-9.64,;3.59,-8.31,;10.46,-8.31,;11.89,-10.76,;12.04,-12.28,;10.8,-13.2,;9.38,-12.56,;8.04,-13.33,;9.22,-11.02,;10.48,-10.12,)| Show InChI InChI=1S/C25H29FN6O3/c1-25(23(33)32(2)3)13-34-22(35-14-25)21-30-19(16-6-8-17(26)9-7-16)20(31-21)18-10-11-27-24(29-18)28-12-15-4-5-15/h6-11,15,22H,4-5,12-14H2,1-3H3,(H,30,31)(H,27,28,29)/t22-,25-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma S.A. Curated by ChEMBL					Assay Description Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1)				J Med Chem 45: 2173-84 (2002) Article DOI: 10.1021/jm011132l BindingDB Entry DOI: 10.7270/Q2WW7MFK
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414610 (CHEMBL564160) Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C27H25F5N4O2/c1-3-35(25(37)20-6-4-5-7-22(20)29)16-26(38,27(30,31)32)15-33-23-12-17(2)13-24-21(23)14-34-36(24)19-10-8-18(28)9-11-19/h4-14,33,38H,3,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50417890 (CHEMBL1668080) Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/t21-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Center Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 21: 1126-33 (2011) Article DOI: 10.1016/j.bmcl.2010.12.121 BindingDB Entry DOI: 10.7270/Q2571D8H
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50417889 (CHEMBL1668079) Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NCC(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C28H34N6O3S/c1-17-9-19(3)28(20(4)10-17)38(36,37)33-21(5)14-31-25-11-18(2)12-26-24(25)15-32-34(26)23-8-6-7-22(13-23)30-16-27(29)35/h6-13,15,21,30-31,33H,14,16H2,1-5H3,(H2,29,35)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Center Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 21: 1126-33 (2011) Article DOI: 10.1016/j.bmcl.2010.12.121 BindingDB Entry DOI: 10.7270/Q2571D8H
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414611 (CHEMBL560797) Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C27H26F4N4O2/c1-3-34(25(36)20-11-7-8-12-22(20)28)17-26(37,27(29,30)31)16-32-23-13-18(2)14-24-21(23)15-33-35(24)19-9-5-4-6-10-19/h4-15,32,37H,3,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414607 (CHEMBL563812) Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C26H23ClF4N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)27)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(28)11-13-18/h3-14,32,37H,2,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414605 (CHEMBL556231) Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C26H22F6N4O2/c1-2-35(24(37)23-19(28)5-3-6-20(23)29)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(27)10-12-17/h3-13,33,38H,2,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50417875 (CHEMBL1668063) Show SMILES CCN(C[C@](O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Center Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity				Bioorg Med Chem Lett 21: 1126-33 (2011) Article DOI: 10.1016/j.bmcl.2010.12.121 BindingDB Entry DOI: 10.7270/Q2571D8H
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50417888 (CHEMBL1668078) Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NC2CC2)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C29H35N5O2S/c1-18-11-20(3)29(21(4)12-18)37(35,36)33-22(5)16-30-27-13-19(2)14-28-26(27)17-31-34(28)25-8-6-7-24(15-25)32-23-9-10-23/h6-8,11-15,17,22-23,30,32-33H,9-10,16H2,1-5H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Center Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 21: 1126-33 (2011) Article DOI: 10.1016/j.bmcl.2010.12.121 BindingDB Entry DOI: 10.7270/Q2571D8H
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414612 (CHEMBL559115) Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C26H24F4N4O2/c1-2-33(24(35)19-11-6-7-12-21(19)27)17-25(36,26(28,29)30)16-31-22-13-8-14-23-20(22)15-32-34(23)18-9-4-3-5-10-18/h3-15,31,36H,2,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414608 (CHEMBL550933) Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1C Show InChI InChI=1S/C27H26F4N4O2/c1-3-34(25(36)21-8-5-4-7-18(21)2)17-26(37,27(29,30)31)16-32-23-9-6-10-24-22(23)15-33-35(24)20-13-11-19(28)12-14-20/h4-15,32,37H,3,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414615 (CHEMBL559942) Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C27H27F3N4O2/c1-3-33(25(35)20-10-6-4-7-11-20)18-26(36,27(28,29)30)17-31-23-14-19(2)15-24-22(23)16-32-34(24)21-12-8-5-9-13-21/h4-16,31,36H,3,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414613 (CHEMBL561475) Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C27H26F4N4O2/c1-3-34(25(36)19-7-5-4-6-8-19)17-26(37,27(29,30)31)16-32-23-13-18(2)14-24-22(23)15-33-35(24)21-11-9-20(28)10-12-21/h4-15,32,37H,3,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50417891 (CHEMBL1668081) Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/t21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Center Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 21: 1126-33 (2011) Article DOI: 10.1016/j.bmcl.2010.12.121 BindingDB Entry DOI: 10.7270/Q2571D8H
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50417887 (CHEMBL1668077) Show SMILES CC(C)Nc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r| Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-9-8-10-25(15-24)34-28-14-20(4)13-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)11-19(3)12-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Center Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity				Bioorg Med Chem Lett 21: 1126-33 (2011) Article DOI: 10.1016/j.bmcl.2010.12.121 BindingDB Entry DOI: 10.7270/Q2571D8H
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414606 (CHEMBL550258) Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(C)cccc1C Show InChI InChI=1S/C28H28F4N4O2/c1-4-35(26(37)25-18(2)7-5-8-19(25)3)17-27(38,28(30,31)32)16-33-23-9-6-10-24-22(23)15-34-36(24)21-13-11-20(29)12-14-21/h5-15,33,38H,4,16-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414618 (CHEMBL563595) Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C26H25F3N4O2/c1-2-32(24(34)19-10-5-3-6-11-19)18-25(35,26(27,28)29)17-30-22-14-9-15-23-21(22)16-31-33(23)20-12-7-4-8-13-20/h3-16,30,35H,2,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50414614 (CHEMBL561276) Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C26H24F4N4O2/c1-2-33(24(35)18-7-4-3-5-8-18)17-25(36,26(28,29)30)16-31-22-9-6-10-23-21(22)15-32-34(23)20-13-11-19(27)12-14-20/h3-15,31,36H,2,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Center Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 21: 1126-33 (2011) Article DOI: 10.1016/j.bmcl.2010.12.121 BindingDB Entry DOI: 10.7270/Q2571D8H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 17: 4737-45 (2007) Article DOI: 10.1016/j.bmcl.2007.06.066 BindingDB Entry DOI: 10.7270/Q2KD206G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 19: 4846-50 (2009) Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.17	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				J Med Chem 50: 6519-34 (2007) Article DOI: 10.1021/jm070778w BindingDB Entry DOI: 10.7270/Q21R6RRR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50411047 (CHEMBL211441) Show SMILES CCC(CC)C1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C28H31F3N2O4/c1-4-19(5-2)26(14-8-10-18-9-6-7-11-23(18)26)16-27(36,28(29,30)31)25(35)32-20-12-13-21-22(15-20)17(3)33-37-24(21)34/h6-7,9,11-13,15,19,36H,4-5,8,10,14,16H2,1-3H3,(H,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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cells				J Med Chem 49: 4216-31 (2006) Checked by Author Article DOI: 10.1021/jm060302x BindingDB Entry DOI: 10.7270/Q2BC40SB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50411047 (CHEMBL211441) Show SMILES CCC(CC)C1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C28H31F3N2O4/c1-4-19(5-2)26(14-8-10-18-9-6-7-11-23(18)26)16-27(36,28(29,30)31)25(35)32-20-12-13-21-22(15-20)17(3)33-37-24(21)34/h6-7,9,11-13,15,19,36H,4-5,8,10,14,16H2,1-3H3,(H,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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				J Med Chem 50: 6519-34 (2007) Article DOI: 10.1021/jm070778w BindingDB Entry DOI: 10.7270/Q21R6RRR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cells				J Med Chem 49: 4216-31 (2006) Checked by Author Article DOI: 10.1021/jm060302x BindingDB Entry DOI: 10.7270/Q2BC40SB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50417876 (CHEMBL1668064) Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C26H29FN4O2S/c1-16-10-18(3)26(19(4)11-16)34(32,33)30-20(5)14-28-24-12-17(2)13-25-23(24)15-29-31(25)22-8-6-21(27)7-9-22/h6-13,15,20,28,30H,14H2,1-5H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Center Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay				Bioorg Med Chem Lett 21: 1126-33 (2011) Article DOI: 10.1016/j.bmcl.2010.12.121 BindingDB Entry DOI: 10.7270/Q2571D8H
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 778 total )  |  Next  |  Last  >>

Jump to: