Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'belton' and Initial = 'd'   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50096484 ((4S,6R)-6-Allyl-4-(naphthalene-2-sulfonyl)-5-oxo-h...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H26N2O5S/c1-2-8-23-25-24(15-16-28(25)27(31)34-18-19-9-4-3-5-10-19)29(26(23)30)35(32,33)22-14-13-20-11-6-7-12-21(20)17-22/h2-7,9-14,17,23-25H,1,8,15-16,18H2/t23-,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0360	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE)				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066997 ((3aS,6R)-6-Allyl-4-methanesulfonyl-5-oxo-hexahydro...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2S(C)(=O)=O Show InChI InChI=1S/C18H22N2O5S/c1-3-7-14-16-15(20(17(14)21)26(2,23)24)10-11-19(16)18(22)25-12-13-8-5-4-6-9-13/h3-6,8-9,14-16H,1,7,10-12H2,2H3/t14-,15+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0470	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE)				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000293 (2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...) Show SMILES Clc1ccc(CC(=O)N2CCC3(CC2CN2CCCC2)OCCO3)cc1Cl Show InChI InChI=1S/C20H26Cl2N2O3/c21-17-4-3-15(11-18(17)22)12-19(25)24-8-5-20(26-9-10-27-20)13-16(24)14-23-6-1-2-7-23/h3-4,11,16H,1-2,5-10,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000288 ((1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CC\C(C2)=C\C#N)cc1Cl Show InChI InChI=1S/C20H23Cl2N3O/c21-18-5-4-16(11-19(18)22)12-20(26)25-9-2-1-3-17(25)14-24-10-7-15(13-24)6-8-23/h4-6,11,17H,1-3,7,9-10,12-14H2/b15-6-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000271 (1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2-...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=O)C2)cc1Cl Show InChI InChI=1S/C18H22Cl2N2O2/c19-16-5-4-13(9-17(16)20)10-18(24)22-7-2-1-3-14(22)11-21-8-6-15(23)12-21/h4-5,9,14H,1-3,6-8,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066999 ((S)-3,3-Diethyl-2-[4-(4-methyl-piperazine-1-carbon...) Show SMILES CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity in human whole blood (HWB) elastase at a concentration of 10				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50096486 (CHEMBL2367646 | benzyl (3aS,6aR)-4-acetyl-6-allyl-...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2C(C)=O Show InChI InChI=1S/C19H22N2O4/c1-3-7-15-17-16(21(13(2)22)18(15)23)10-11-20(17)19(24)25-12-14-8-5-4-6-9-14/h3-6,8-9,15-17H,1,7,10-12H2,2H3/t15-,16+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE)				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000260 (2-(3,4-Dichloro-phenyl)-1-[2-(3-hydroxy-pyrrolidin...) Show SMILES OC1CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C18H24Cl2N2O2/c19-16-5-4-13(9-17(16)20)10-18(24)22-7-2-1-3-14(22)11-21-8-6-15(23)12-21/h4-5,9,14-15,23H,1-3,6-8,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50096488 ((1S,3R)-1-(Naphthalene-2-sulfonyl)-4-(3-piperidin-...) Show SMILES Cl.[H][C@]12CCN(C(=O)CCN3CCCCC3)[C@]1([H])[C@@H](CCC)C(=O)N2S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H35N3O4S.ClH/c1-2-8-23-26-24(13-18-29(26)25(31)14-17-28-15-6-3-7-16-28)30(27(23)32)35(33,34)22-12-11-20-9-4-5-10-21(20)19-22;/h4-5,9-12,19,23-24,26H,2-3,6-8,13-18H2,1H3;1H/t23-,24+,26-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity for dopamine D4-like receptor labelled with [3H]YM-09151-2 in retina				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50096488 ((1S,3R)-1-(Naphthalene-2-sulfonyl)-4-(3-piperidin-...) Show SMILES Cl.[H][C@]12CCN(C(=O)CCN3CCCCC3)[C@]1([H])[C@@H](CCC)C(=O)N2S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H35N3O4S.ClH/c1-2-8-23-26-24(13-18-29(26)25(31)14-17-28-15-6-3-7-16-28)30(27(23)32)35(33,34)22-12-11-20-9-4-5-10-21(20)19-22;/h4-5,9-12,19,23-24,26H,2-3,6-8,13-18H2,1H3;1H/t23-,24+,26-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE)				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000284 (2-(3,4-Dichloro-phenyl)-1-(2-methyl-6-pyrrolidin-1...) Show SMILES C[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H26Cl2N2O/c1-14-5-4-6-16(13-22-9-2-3-10-22)23(14)19(24)12-15-7-8-17(20)18(21)11-15/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3/t14-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50096487 ((3R,6aS)-3-Allyl-2-oxo-hexahydro-pyrrolo[3,2-b]pyr...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2C(=O)OCC Show InChI InChI=1S/C20H24N2O5/c1-3-8-15-17-16(22(18(15)23)20(25)26-4-2)11-12-21(17)19(24)27-13-14-9-6-5-7-10-14/h3,5-7,9-10,15-17H,1,4,8,11-13H2,2H3/t15-,16+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE)				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50096483 ((3R,6aS)-1-Methanesulfonyl-4-(3-piperidin-1-yl-pro...) Show SMILES Cl.[H][C@]12CCN(C(=O)CCN3CCCCC3)[C@]1([H])[C@@H](CCC)C(=O)N2S(C)(=O)=O |r| Show InChI InChI=1S/C18H31N3O4S.ClH/c1-3-7-14-17-15(21(18(14)23)26(2,24)25)8-13-20(17)16(22)9-12-19-10-5-4-6-11-19;/h14-15,17H,3-13H2,1-2H3;1H/t14-,15+,17-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity in human whole blood (HWB) elastase at a concentration of 10 uM				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000292 (2-(3,4-Dichloro-phenyl)-1-[2-(2,5-dihydro-pyrrol-1...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CC=CC2)cc1Cl |c:18| Show InChI InChI=1S/C18H22Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h3-4,6-7,11,15H,1-2,5,8-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000274 ((1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2...) Show SMILES COC(=O)\C=C1\CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C21H26Cl2N2O3/c1-28-21(27)12-16-7-9-24(13-16)14-17-4-2-3-8-25(17)20(26)11-15-5-6-18(22)19(23)10-15/h5-6,10,12,17H,2-4,7-9,11,13-14H2,1H3/b16-12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000286 (2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...) Show SMILES Clc1ccc(CC(=O)N2CCC3(CC2CN2CCCC2)SCCS3)cc1Cl Show InChI InChI=1S/C20H26Cl2N2OS2/c21-17-4-3-15(11-18(17)22)12-19(25)24-8-5-20(26-9-10-27-20)13-16(24)14-23-6-1-2-7-23/h3-4,11,16H,1-2,5-10,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000297 (2-(3,4-Dichloro-phenyl)-1-[2-(3,6-dihydro-2H-pyrid...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCC=CC2)cc1Cl |c:19| Show InChI InChI=1S/C19H24Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h1,3,7-8,12,16H,2,4-6,9-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50061024 ((2-Methyl-1-{(S)-oxo-[(S)-2-((S)-3,3,3-trifluoro-1...) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C18H28F3N3O5/c1-9(2)12(14(25)18(19,20)21)22-15(26)11-7-6-8-24(11)16(27)13(10(3)4)23-17(28)29-5/h9-13H,6-8H2,1-5H3,(H,22,26)(H,23,28)/t11-,12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity in human whole blood (HWB) elastase				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000287 (2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Kappa-opioid receptor agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000285 (1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2-...) Show SMILES COC(=O)C1=CCCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1 |t:4| Show InChI InChI=1S/C21H26Cl2N2O3/c1-28-21(27)16-5-4-9-24(13-16)14-17-6-2-3-10-25(17)20(26)12-15-7-8-18(22)19(23)11-15/h5,7-8,11,17H,2-4,6,9-10,12-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066999 ((S)-3,3-Diethyl-2-[4-(4-methyl-piperazine-1-carbon...) Show SMILES CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 0 min.				J Med Chem 41: 3919-22 (1998) Article DOI: 10.1021/jm981026s BindingDB Entry DOI: 10.7270/Q2X34WMC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000273 (2-(3,4-Dichloro-phenyl)-1-[2-(3-methylene-pyrrolid...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=C)C2)cc1Cl Show InChI InChI=1S/C19H24Cl2N2O/c1-14-7-9-22(12-14)13-16-4-2-3-8-23(16)19(24)11-15-5-6-17(20)18(21)10-15/h5-6,10,16H,1-4,7-9,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50096490 ((3aS,6R)-6-Allyl-4-hexyl-5-oxo-hexahydro-pyrrolo[3...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2CCCCCC Show InChI InChI=1S/C23H32N2O3/c1-3-5-6-10-15-24-20-14-16-25(21(20)19(11-4-2)22(24)26)23(27)28-17-18-12-8-7-9-13-18/h4,7-9,12-13,19-21H,2-3,5-6,10-11,14-17H2,1H3/t19-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE)				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50096485 ((3aS,6R)-6-Allyl-4-ethylcarbamoyl-5-oxo-hexahydro-...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2C(=O)NCC Show InChI InChI=1S/C20H25N3O4/c1-3-8-15-17-16(23(18(15)24)19(25)21-4-2)11-12-22(17)20(26)27-13-14-9-6-5-7-10-14/h3,5-7,9-10,15-17H,1,4,8,11-13H2,2H3,(H,21,25)/t15-,16+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE)				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066999 ((S)-3,3-Diethyl-2-[4-(4-methyl-piperazine-1-carbon...) Show SMILES CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 40 min.				J Med Chem 41: 3919-22 (1998) Article DOI: 10.1021/jm981026s BindingDB Entry DOI: 10.7270/Q2X34WMC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000275 (1-[2-(3,4-Dichloro-phenyl)-acetyl]-2-pyrrolidin-1-...) Show SMILES Clc1ccc(CC(=O)N2CCC(=O)CC2CN2CCCC2)cc1Cl Show InChI InChI=1S/C18H22Cl2N2O2/c19-16-4-3-13(9-17(16)20)10-18(24)22-8-5-15(23)11-14(22)12-21-6-1-2-7-21/h3-4,9,14H,1-2,5-8,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50067002 ((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...) Show SMILES C=CC[C@@H]1C2[C@H](CCN2C(=O)OCc2ccccc2)OC1=O Show InChI InChI=1S/C17H19NO4/c1-2-6-13-15-14(22-16(13)19)9-10-18(15)17(20)21-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14+,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 40 min.				J Med Chem 41: 3919-22 (1998) Article DOI: 10.1021/jm981026s BindingDB Entry DOI: 10.7270/Q2X34WMC
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066997 ((3aS,6R)-6-Allyl-4-methanesulfonyl-5-oxo-hexahydro...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2S(C)(=O)=O Show InChI InChI=1S/C18H22N2O5S/c1-3-7-14-16-15(20(17(14)21)26(2,23)24)10-11-19(16)18(22)25-12-13-8-5-4-6-9-13/h3-6,8-9,14-16H,1,7,10-12H2,2H3/t14-,15+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 40 min.				J Med Chem 41: 3919-22 (1998) Article DOI: 10.1021/jm981026s BindingDB Entry DOI: 10.7270/Q2X34WMC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000272 (2-(3,4-Dichloro-phenyl)-1-(2-methyl-6-pyrrolidin-1...) Show SMILES C[C@@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H26Cl2N2O/c1-14-5-4-6-16(13-22-9-2-3-10-22)23(14)19(24)12-15-7-8-17(20)18(21)11-15/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3/t14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066998 ((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...) Show SMILES CCOC(=O)N1CC[C@@H]2OC(=O)[C@H](CC=C)C12 Show InChI InChI=1S/C12H17NO4/c1-3-5-8-10-9(17-11(8)14)6-7-13(10)12(15)16-4-2/h3,8-10H,1,4-7H2,2H3/t8-,9+,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 15 min.				J Med Chem 41: 3919-22 (1998) Article DOI: 10.1021/jm981026s BindingDB Entry DOI: 10.7270/Q2X34WMC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000282 (2-(3,4-Dichloro-phenyl)-1-(2-isoxazolidin-2-ylmeth...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCO2)cc1Cl Show InChI InChI=1S/C17H22Cl2N2O2/c18-15-6-5-13(10-16(15)19)11-17(22)21-8-2-1-4-14(21)12-20-7-3-9-23-20/h5-6,10,14H,1-4,7-9,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair

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