Compile Data Set for Download or QSAR

Found 268 hits with Last Name = 'james' and Initial = 'r'   

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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311657 (1-(9-(8-fluorochroman-4-yl)-8-oxo-8,9-dihydro-7H-p...) Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(ncc2[nH]c1=O)-n1cnc2ccc(cc12)C#N |r| Show InChI InChI=1S/C22H14FN7O2/c23-14-3-1-2-13-17(6-7-32-19(13)14)30-20-16(27-22(30)31)10-25-21(28-20)29-11-26-15-5-4-12(9-24)8-18(15)29/h1-5,8,10-11,17H,6-7H2,(H,27,31)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422267 (CHEMBL263079) Show SMILES CCNc1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC Show InChI InChI=1S/C17H17BrN4O3S/c1-3-19-13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)22-16-17(25-2)21-15(18)10-20-16/h4-10,19H,3H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325723 ((R)-2-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazo...) Show SMILES Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)n1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H21ClF3N5O/c1-14-28-29-20(31(14)13-15-4-8-17(23)9-5-15)19-3-2-12-30(19)21(32)27-18-10-6-16(7-11-18)22(24,25)26/h4-11,19H,2-3,12-13H2,1H3,(H,27,32)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) Show SMILES Fc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)c2c1 |r| Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1	PDB 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	3	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325722 ((R)-2-(4-(4-chlorobenzyl)-4H-1,2,4-triazol-3-yl)-N...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nncn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H19ClF3N5O/c22-16-7-3-14(4-8-16)12-29-13-26-28-19(29)18-2-1-11-30(18)20(31)27-17-9-5-15(6-10-17)21(23,24)25/h3-10,13,18H,1-2,11-12H2,(H,27,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311657 (1-(9-(8-fluorochroman-4-yl)-8-oxo-8,9-dihydro-7H-p...) Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(ncc2[nH]c1=O)-n1cnc2ccc(cc12)C#N |r| Show InChI InChI=1S/C22H14FN7O2/c23-14-3-1-2-13-17(6-7-32-19(13)14)30-20-16(27-22(30)31)10-25-21(28-20)29-11-26-15-5-4-12(9-24)8-18(15)29/h1-5,8,10-11,17H,6-7H2,(H,27,31)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK2 (532-1132) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007346 (CHEMBL323472 | N-[1-(3-Acetylamino-phenyl)-2-pyrro...) Show SMILES CN(C(CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311644 (1-(9-(2,6-difluorobenzyl)-8-oxo-8,9-dihydro-7H-pur...) Show SMILES Fc1cccc(F)c1Cn1c2nc(ncc2[nH]c1=O)-n1cnc2ccc(cc12)C#N Show InChI InChI=1S/C20H11F2N7O/c21-13-2-1-3-14(22)12(13)9-28-18-16(26-20(28)30)8-24-19(27-18)29-10-25-15-5-4-11(7-23)6-17(15)29/h1-6,8,10H,9H2,(H,26,30)	PDB 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	6	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007355 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1...) Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H26Cl2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for the Opioid receptor kappa 1 affinity using guinea pig brain membranes.				J Med Chem 34: 181-9 (1991) BindingDB Entry DOI: 10.7270/Q27080CR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325719 ((R)-2-(1-(4-chlorobenzyl)-1H-tetrazol-5-yl)-N-(4-(...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nnnn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C20H18ClF3N6O/c21-15-7-3-13(4-8-15)12-30-18(26-27-28-30)17-2-1-11-29(17)19(31)25-16-9-5-14(6-10-16)20(22,23)24/h3-10,17H,1-2,11-12H2,(H,25,31)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007355 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1...) Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H26Cl2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for the Opioid receptor kappa 1 affinity using guinea pig brain membranes.				J Med Chem 34: 181-9 (1991) BindingDB Entry DOI: 10.7270/Q27080CR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311640 (1-(8-oxo-9-(tetrahydro-2H-pyran-4-yl)-8,9-dihydro-...) Show SMILES O=c1[nH]c2cnc(nc2n1C1CCOCC1)-n1cnc2ccc(cc12)C#N Show InChI InChI=1S/C18H15N7O2/c19-8-11-1-2-13-15(7-11)24(10-21-13)17-20-9-14-16(23-17)25(18(26)22-14)12-3-5-27-6-4-12/h1-2,7,9-10,12H,3-6H2,(H,22,26)	PDB 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	7	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422250 (CHEMBL268174) Show SMILES COc1nc(C)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C18H20N4O3S/c1-12-11-19-17(18(20-12)25-4)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-11H,1-4H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007351 (CHEMBL326899 | N-[2-(Allyl-methyl-amino)-1-phenyl-...) Show SMILES CN(CC=C)C[C@@H](N(C)C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C21H24Cl2N2O/c1-4-12-24(2)15-20(17-8-6-5-7-9-17)25(3)21(26)14-16-10-11-18(22)19(23)13-16/h4-11,13,20H,1,12,14-15H2,2-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007375 (2-(3,4-Dichloro-phenyl)-N-[1-(4-hydroxy-phenyl)-2-...) Show SMILES CN(C(CN1CCCC1)c1ccc(O)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N2O2/c1-24(21(27)13-15-4-9-18(22)19(23)12-15)20(14-25-10-2-3-11-25)16-5-7-17(26)8-6-16/h4-9,12,20,26H,2-3,10-11,13-14H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422234 (CHEMBL6412) Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C17H17ClN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007374 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1-pyr...) Show SMILES CCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H28Cl2N2O/c1-4-14(2)18(13-23-9-5-6-10-23)22(3)19(24)12-15-7-8-16(20)17(21)11-15/h7-8,11,14,18H,4-6,9-10,12-13H2,1-3H3/t14?,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM7628 (2,4-bis anilino pyrimidine deriv. 24 | 5-bromo-2-N...) Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(n2)N(CCCC(F)(F)F)c2ccccc2)cc1 Show InChI InChI=1S/C25H29BrF3N5O2/c1-33(2)16-20(35)17-36-21-11-9-18(10-12-21)31-24-30-15-22(26)23(32-24)34(14-6-13-25(27,28)29)19-7-4-3-5-8-19/h3-5,7-12,15,20,35H,6,13-14,16-17H2,1-2H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.				Bioorg Med Chem Lett 13: 2961-6 (2003) Article DOI: 10.1016/s0960-894x(03)00203-8 BindingDB Entry DOI: 10.7270/Q29S1P8K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007367 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1-pip...) Show SMILES CC(C)[C@@H](CN1CCCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H28Cl2N2O/c1-14(2)18(13-23-9-5-4-6-10-23)22(3)19(24)12-15-7-8-16(20)17(21)11-15/h7-8,11,14,18H,4-6,9-10,12-13H2,1-3H3/t18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007340 (2-(3,4-Dichloro-phenyl)-N-[2-(2,5-dihydro-pyrrol-1...) Show SMILES CN([C@H](CN1CC=CC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C21H22Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-10,13,20H,11-12,14-15H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007377 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...) Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007362 (2-(3,4-Dichloro-phenyl)-N-[1-(3-hydroxy-phenyl)-2-...) Show SMILES CN(C(CN1CCCC1)c1cccc(O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N2O2/c1-24(21(27)12-15-7-8-18(22)19(23)11-15)20(14-25-9-2-3-10-25)16-5-4-6-17(26)13-16/h4-8,11,13,20,26H,2-3,9-10,12,14H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422254 (CHEMBL6785) Show SMILES CCN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC Show InChI InChI=1S/C18H19BrN4O3S/c1-4-23(2)14-9-5-8-13-12(14)7-6-10-15(13)27(24,25)22-17-18(26-3)21-16(19)11-20-17/h5-11H,4H2,1-3H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I] ET-1 to human Endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007368 (CHEMBL324682 | N-Methyl-N-(2-methyl-1-pyrrolidin-1...) Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H27F3N2O/c1-14(2)17(13-24-10-4-5-11-24)23(3)18(25)12-15-6-8-16(9-7-15)19(20,21)22/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311639 (2-(6-chloro-1H-benzo[d]imidazol-1-yl)-9-(tetrahydr...) Show SMILES Clc1ccc2ncn(-c3ncc4[nH]c(=O)n(C5CCOCC5)c4n3)c2c1 Show InChI InChI=1S/C17H15ClN6O2/c18-10-1-2-12-14(7-10)23(9-20-12)16-19-8-13-15(22-16)24(17(25)21-13)11-3-5-26-6-4-11/h1-2,7-9,11H,3-6H2,(H,21,25)	PDB 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	14	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007383 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methyl-1-pyr...) Show SMILES CC(C)C[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H28Cl2N2O/c1-14(2)10-16(13-23-8-4-5-9-23)22(3)19(24)12-15-6-7-17(20)18(21)11-15/h6-7,11,14,16H,4-5,8-10,12-13H2,1-3H3/t16-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007336 (CHEMBL106760 | N-[1-(3-Amino-phenyl)-2-pyrrolidin-...) Show SMILES CN(C(CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)12-15-7-8-18(22)19(23)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(24)13-16/h4-8,11,13,20H,2-3,9-10,12,14,24H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311655 (2-(6-chloro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(ncc2[nH]c1=O)-n1cnc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C21H14ClFN6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1	PDB 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	15	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007372 (2-(3,4-Dichloro-phenyl)-N-{1-[(isopropyl-methyl-am...) Show SMILES CC(C)[C@@H](CN(C)C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H28Cl2N2O/c1-12(2)17(11-21(5)13(3)4)22(6)18(23)10-14-7-8-15(19)16(20)9-14/h7-9,12-13,17H,10-11H2,1-6H3/t17-/m1/s1	PDB UniProtKB/SwissProt B.MOAD 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
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422257 (CHEMBL6555) Show SMILES CNc1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC Show InChI InChI=1S/C16H15BrN4O3S/c1-18-12-7-3-6-11-10(12)5-4-8-13(11)25(22,23)21-15-16(24-2)20-14(17)9-19-15/h3-9,18H,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325718 (2-(1-(4-chlorobenzyl)-1H-imidazol-2-yl)-N-(4-(trif...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCCC2c2nccn2Cc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H20ClF3N4O/c23-17-7-3-15(4-8-17)14-29-13-11-27-20(29)19-2-1-12-30(19)21(31)28-18-9-5-16(6-10-18)22(24,25)26/h3-11,13,19H,1-2,12,14H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325722 ((R)-2-(4-(4-chlorobenzyl)-4H-1,2,4-triazol-3-yl)-N...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nncn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H19ClF3N5O/c22-16-7-3-14(4-8-16)12-29-13-26-28-19(29)18-2-1-11-30(18)20(31)27-17-9-5-15(6-10-17)21(23,24)25/h3-10,13,18H,1-2,11-12H2,(H,27,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311642 (1-(9-(2,3-difluorobenzyl)-8-oxo-8,9-dihydro-7H-pur...) Show SMILES Fc1cccc(Cn2c3nc(ncc3[nH]c2=O)-n2cnc3ccc(cc23)C#N)c1F Show InChI InChI=1S/C20H11F2N7O/c21-13-3-1-2-12(17(13)22)9-28-18-15(26-20(28)30)8-24-19(27-18)29-10-25-14-5-4-11(7-23)6-16(14)29/h1-6,8,10H,9H2,(H,26,30)	PDB 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	17	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007341 (2-(3,4-Dichloro-phenyl)-N-[1-(2-methoxy-phenyl)-2-...) Show SMILES COc1ccccc1C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H26Cl2N2O2/c1-25(22(27)14-16-9-10-18(23)19(24)13-16)20(15-26-11-5-6-12-26)17-7-3-4-8-21(17)28-2/h3-4,7-10,13,20H,5-6,11-12,14-15H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325719 ((R)-2-(1-(4-chlorobenzyl)-1H-tetrazol-5-yl)-N-(4-(...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nnnn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C20H18ClF3N6O/c21-15-7-3-13(4-8-15)12-30-18(26-27-28-30)17-2-1-11-29(17)19(31)25-16-9-5-14(6-10-16)20(22,23)24/h3-10,17H,1-2,11-12H2,(H,25,31)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007378 (CHEMBL107543 | N-Methyl-N-(2-methyl-1-pyrrolidin-1...) Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)COc1ccccc1 Show InChI InChI=1S/C18H28N2O2/c1-15(2)17(13-20-11-7-8-12-20)19(3)18(21)14-22-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293051 ((1S)-N1-(4-chlorobenzyl)-N1-methyl-N2-(4-(trifluor...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H21ClF3N3O2/c1-27(13-14-4-8-16(22)9-5-14)19(29)18-3-2-12-28(18)20(30)26-17-10-6-15(7-11-17)21(23,24)25/h4-11,18H,2-3,12-13H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007357 (2-(3,4-Dichloro-phenyl)-N-[1-(2-hydroxy-phenyl)-2-...) Show SMILES CN(C(CN1CCCC1)c1ccccc1O)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N2O2/c1-24(21(27)13-15-8-9-17(22)18(23)12-15)19(14-25-10-4-5-11-25)16-6-2-3-7-20(16)26/h2-3,6-9,12,19,26H,4-5,10-11,13-14H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325720 ((R)-2-(1-(4-chlorobenzyl)-1H-1,2,4-triazol-5-yl)-N...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2ncnn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H19ClF3N5O/c22-16-7-3-14(4-8-16)12-30-19(26-13-27-30)18-2-1-11-29(18)20(31)28-17-9-5-15(6-10-17)21(23,24)25/h3-10,13,18H,1-2,11-12H2,(H,28,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50008845 (2-(3,4-Dichloro-phenyl)-N-(2,2-dimethyl-1-pyrrolid...) Show SMILES CN([C@H](CN1CCCC1)C(C)(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H28Cl2N2O/c1-19(2,3)17(13-23-9-5-6-10-23)22(4)18(24)12-14-7-8-15(20)16(21)11-14/h7-8,11,17H,5-6,9-10,12-13H2,1-4H3/t17-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for the opioid receptor kappa affinity using guinea pig brain membranes.				J Med Chem 34: 181-9 (1991) BindingDB Entry DOI: 10.7270/Q27080CR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007360 (2-(3,4-Dichloro-phenyl)-N-(2,2-dimethyl-1-pyrrolid...) Show SMILES CN(C(CN1CCCC1)C(C)(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H28Cl2N2O/c1-19(2,3)17(13-23-9-5-6-10-23)22(4)18(24)12-14-7-8-15(20)16(21)11-14/h7-8,11,17H,5-6,9-10,12-13H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007380 (CHEMBL108376 | N-[1-(3-Cyano-phenyl)-2-pyrrolidin-...) Show SMILES CN(C(CN1CCCC1)c1cccc(c1)C#N)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H23Cl2N3O/c1-26(22(28)13-16-7-8-19(23)20(24)12-16)21(15-27-9-2-3-10-27)18-6-4-5-17(11-18)14-25/h4-8,11-12,21H,2-3,9-10,13,15H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) Show SMILES Fc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)c2c1 |r| Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1	PDB 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	26	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK2 (532-1132) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50223615 (3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazol...) Show SMILES Brc1cnn2c(NCc3cccnc3)cc(nc12)C1CCCCC1 Show InChI InChI=1S/C18H20BrN5/c19-15-12-22-24-17(21-11-13-5-4-8-20-10-13)9-16(23-18(15)24)14-6-2-1-3-7-14/h4-5,8-10,12,14,21H,1-3,6-7,11H2	PDB MMDB NCI pathway 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	27	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human GSK3beta				Bioorg Med Chem Lett 17: 6220-3 (2007) Article DOI: 10.1016/j.bmcl.2007.09.017 BindingDB Entry DOI: 10.7270/Q27M07ND
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311648 ((+/-)-2-(1H-benzo[d]imidazol-1-yl)-9-(6-fluorochro...) Show SMILES Fc1ccc2OCCC(c2c1)n1c2nc(ncc2[nH]c1=O)-n1cnc2ccccc12 Show InChI InChI=1S/C21H15FN6O2/c22-12-5-6-18-13(9-12)16(7-8-30-18)28-19-15(25-21(28)29)10-23-20(26-19)27-11-24-14-3-1-2-4-17(14)27/h1-6,9-11,16H,7-8H2,(H,25,29)	PDB 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	28	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311644 (1-(9-(2,6-difluorobenzyl)-8-oxo-8,9-dihydro-7H-pur...) Show SMILES Fc1cccc(F)c1Cn1c2nc(ncc2[nH]c1=O)-n1cnc2ccc(cc12)C#N Show InChI InChI=1S/C20H11F2N7O/c21-13-2-1-3-14(22)12(13)9-28-18-16(26-20(28)30)8-24-19(27-18)29-10-25-15-5-4-11(7-23)6-17(15)29/h1-6,8,10H,9H2,(H,26,30)	PDB 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	28	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK2 (532-1132) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311653 ((R)-2-(1H-benzo[d]imidazol-1-yl)-9-(8-fluorochroma...) Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(ncc2[nH]c1=O)-n1cnc2ccccc12 |r| Show InChI InChI=1S/C21H15FN6O2/c22-13-5-3-4-12-16(8-9-30-18(12)13)28-19-15(25-21(28)29)10-23-20(26-19)27-11-24-14-6-1-2-7-17(14)27/h1-7,10-11,16H,8-9H2,(H,25,29)/t16-/m1/s1	PDB 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	28	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay				Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50281663 (10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(...) Show SMILES CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD 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
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair

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