Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'nowakowski' and Initial = 'j'   

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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014156 (4-(2-Methoxy-phenyl)-2-(5-methyl-1H-imidazol-4-ylm...) Show SMILES COc1ccccc1-c1csc(Cc2[nH]cnc2C)n1 Show InChI InChI=1S/C15H15N3OS/c1-10-12(17-9-16-10)7-15-18-13(8-20-15)11-5-3-4-6-14(11)19-2/h3-6,8-9H,7H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014174 (2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole | CHE...) Show SMILES C(c1cnc[nH]1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C13H11N3S/c1-2-4-10(5-3-1)12-8-17-13(16-12)6-11-7-14-9-15-11/h1-5,7-9H,6H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014164 (8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1cccc2cccnc12 Show InChI InChI=1S/C17H14N4S/c1-11-14(20-10-19-11)8-16-21-15(9-22-16)13-6-2-4-12-5-3-7-18-17(12)13/h2-7,9-10H,8H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Antibacterial activity against Escherichia coli DHFR				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014159 (4-(2-Fluoro-phenyl)-2-(5-methyl-1H-imidazol-4-ylme...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1F Show InChI InChI=1S/C14H12FN3S/c1-9-12(17-8-16-9)6-14-18-13(7-19-14)10-4-2-3-5-11(10)15/h2-5,7-8H,6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50081081 (6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Binding affinity of compound to human 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50013039 (CHEMBL40260 | N-[4-(1H-Indol-3-yl)-thiazol-2-ylmet...) Show SMILES NC(=N)NCc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C13H13N5S/c14-13(15)17-6-12-18-11(7-19-12)9-5-16-10-4-2-1-3-8(9)10/h1-5,7,16H,6H2,(H4,14,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of dihydrofolate reductase of Escherichia coli				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50013043 (3-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50081081 (6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Binding ability of compound to human Dopamine receptor D2				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50013043 (3-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014600 (3-[2-(1H-Imidazol-4-ylmethyl)-thiazol-4-yl]-1H-ind...) Show SMILES C(c1cnc[nH]1)c1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C15H12N4S/c1-2-4-13-11(3-1)12(7-17-13)14-8-20-15(19-14)5-10-6-16-9-18-10/h1-4,6-9,17H,5H2,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50081081 (6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Binding affinity of compound to human 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014601 (2-(2-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1ncc(Cc2nc(cs2)-c2ccccc2)[nH]1 Show InChI InChI=1S/C14H13N3S/c1-10-15-8-12(16-10)7-14-17-13(9-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Escherichia coli dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50081082 (2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Binding affinity of compound to m2 muscarinic receptor				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50081082 (2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Binding ability of compound to m4 muscarinic receptor				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Mus musculus (Mouse))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D1 was determined by using [3H]SCH-23390 as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1C receptor was determined by using [3H]- mesulergine as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1B receptor was determined by using [3H]5-HT as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Muscarinic acetylcholine receptor was determined by using [3H]QNB as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Rattus norvegicus)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Alpha-2 adrenergic receptor was determined by using [3H]p-aminoclonidine as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Beta adrenergic receptor was determined by using [3H]dihydroalprenolol as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Mus musculus (Mouse))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor was determined by using [3H]8-OH-DPAT as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Sigma opioid receptor was determined by using [3H](+)-3-(3-hydroxyphenyl)N-1-propyl-piperdine((+)-3-PPP) as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Alpha-1 adrenergic receptor was determined by using [3H]prazosin as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50013045 (3-[2-(2-Methyl-imidazol-1-ylmethyl)-thiazol-4-yl]-...) Show SMILES Cc1nccn1Cc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H14N4S/c1-11-17-6-7-20(11)9-16-19-15(10-21-16)13-8-18-14-5-3-2-4-12(13)14/h2-8,10,18H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (BOVINE)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2 receptor was determined by using [3H]ketanserin as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was determined by using [3H]spiperone as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1 was determined by using [3H]naloxone as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1D receptor was determined by using [3H]5-HT as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014406 (2-Me 5-HT | 2-Methyl-5-hydroxytryptamine | 2-methy...) Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN Show InChI InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Escherichia coli dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50363465 (CHEMBL1946646) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-8.05,-2.1,;-7.28,-.77,;-5.74,-.77,;-4.96,.56,;-5.74,1.89,;-7.27,1.89,;-8.04,.57,;-4.97,3.22,;-3.43,3.22,;-2.66,4.56,;-1.12,4.55,;-.36,3.22,;1.14,2.91,;1.29,1.38,;2.63,.61,;3.96,1.38,;3.96,2.92,;2.63,3.69,;5.29,3.7,;6.63,2.93,;6.63,1.38,;5.3,.61,;5.3,-.93,;-.11,.75,;-.11,-.78,;-1.36,-1.68,;-.89,-3.15,;.65,-3.15,;1.13,-1.69,;-1.14,1.9,;-2.66,1.9,)| Show InChI InChI=1S/C22H27F2N7/c23-16-6-3-7-17(24)19(16)29-22-28-18-12-26-21(27-14-10-8-13(25)9-11-14)30-20(18)31(22)15-4-1-2-5-15/h3,6-7,12-15H,1-2,4-5,8-11,25H2,(H,28,29)(H,26,27,30)/t13-,14-	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50363455 (CHEMBL1946333) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-11.53,-21.51,;-10.75,-20.18,;-11.51,-18.84,;-10.74,-17.51,;-9.2,-17.52,;-8.43,-18.84,;-9.2,-20.18,;-8.44,-16.18,;-6.9,-16.18,;-6.13,-14.85,;-4.59,-14.85,;-3.83,-16.18,;-2.33,-16.49,;-2.17,-18.02,;-.84,-18.79,;.49,-18.03,;1.83,-18.8,;3.16,-18.02,;3.16,-16.47,;1.82,-15.71,;.5,-16.48,;-.84,-15.71,;-3.58,-18.65,;-3.58,-20.19,;-4.83,-21.09,;-4.36,-22.55,;-2.82,-22.56,;-2.34,-21.1,;-4.6,-17.51,;-6.13,-17.51,)| Show InChI InChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28)/t14-,16-	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50363466 (CHEMBL1946647) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(9.91,-2.33,;10.68,-1,;12.22,-1.01,;13,.33,;12.22,1.65,;10.69,1.66,;9.92,.33,;12.99,2.99,;14.53,2.99,;15.3,4.32,;16.83,4.32,;17.6,2.99,;19.1,2.68,;19.25,1.15,;20.59,.38,;21.92,1.15,;21.92,2.69,;20.59,3.46,;23.25,3.46,;24.59,2.7,;25.92,3.47,;24.59,1.15,;23.26,.38,;23.25,-1.16,;17.85,.52,;17.85,-1.02,;16.6,-1.92,;17.07,-3.38,;18.61,-3.39,;19.09,-1.93,;16.82,1.67,;15.3,1.67,)| Show InChI InChI=1S/C22H26F3N7/c23-12-9-16(24)19(17(25)10-12)30-22-29-18-11-27-21(28-14-7-5-13(26)6-8-14)31-20(18)32(22)15-3-1-2-4-15/h9-11,13-15H,1-8,26H2,(H,29,30)(H,27,28,31)/t13-,14-	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50363455 (CHEMBL1946333) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-11.53,-21.51,;-10.75,-20.18,;-11.51,-18.84,;-10.74,-17.51,;-9.2,-17.52,;-8.43,-18.84,;-9.2,-20.18,;-8.44,-16.18,;-6.9,-16.18,;-6.13,-14.85,;-4.59,-14.85,;-3.83,-16.18,;-2.33,-16.49,;-2.17,-18.02,;-.84,-18.79,;.49,-18.03,;1.83,-18.8,;3.16,-18.02,;3.16,-16.47,;1.82,-15.71,;.5,-16.48,;-.84,-15.71,;-3.58,-18.65,;-3.58,-20.19,;-4.83,-21.09,;-4.36,-22.55,;-2.82,-22.56,;-2.34,-21.1,;-4.6,-17.51,;-6.13,-17.51,)| Show InChI InChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28)/t14-,16-	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50363465 (CHEMBL1946646) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-8.05,-2.1,;-7.28,-.77,;-5.74,-.77,;-4.96,.56,;-5.74,1.89,;-7.27,1.89,;-8.04,.57,;-4.97,3.22,;-3.43,3.22,;-2.66,4.56,;-1.12,4.55,;-.36,3.22,;1.14,2.91,;1.29,1.38,;2.63,.61,;3.96,1.38,;3.96,2.92,;2.63,3.69,;5.29,3.7,;6.63,2.93,;6.63,1.38,;5.3,.61,;5.3,-.93,;-.11,.75,;-.11,-.78,;-1.36,-1.68,;-.89,-3.15,;.65,-3.15,;1.13,-1.69,;-1.14,1.9,;-2.66,1.9,)| Show InChI InChI=1S/C22H27F2N7/c23-16-6-3-7-17(24)19(16)29-22-28-18-12-26-21(27-14-10-8-13(25)9-11-14)30-20(18)31(22)15-4-1-2-5-15/h3,6-7,12-15H,1-2,4-5,8-11,25H2,(H,28,29)(H,26,27,30)/t13-,14-	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50363462 (CHEMBL1946340) Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:22.22,25.26,(4.81,-38.68,;6.35,-38.68,;7.12,-37.34,;6.35,-36.01,;7.12,-34.67,;8.66,-34.68,;9.43,-33.35,;10.97,-33.34,;11.74,-32.01,;13.27,-32.01,;14.04,-33.34,;15.54,-33.66,;15.7,-35.19,;17.03,-35.96,;18.37,-35.19,;19.7,-35.96,;21.04,-35.19,;21.04,-33.64,;19.7,-32.87,;18.37,-33.64,;17.03,-32.87,;14.29,-35.82,;14.29,-37.35,;12.95,-38.11,;12.94,-39.64,;14.27,-40.42,;14.26,-41.96,;15.61,-39.66,;15.62,-38.11,;13.26,-34.67,;11.74,-34.67,;9.43,-36,;8.67,-37.34,)| Show InChI InChI=1S/C24H25FN6O2/c1-33-18-12-6-15(7-13-18)27-23-26-14-21-22(30-23)31(16-8-10-17(32)11-9-16)24(29-21)28-20-5-3-2-4-19(20)25/h2-7,12-14,16-17,32H,8-11H2,1H3,(H,28,29)(H,26,27,30)/t16-,17+	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50363466 (CHEMBL1946647) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(9.91,-2.33,;10.68,-1,;12.22,-1.01,;13,.33,;12.22,1.65,;10.69,1.66,;9.92,.33,;12.99,2.99,;14.53,2.99,;15.3,4.32,;16.83,4.32,;17.6,2.99,;19.1,2.68,;19.25,1.15,;20.59,.38,;21.92,1.15,;21.92,2.69,;20.59,3.46,;23.25,3.46,;24.59,2.7,;25.92,3.47,;24.59,1.15,;23.26,.38,;23.25,-1.16,;17.85,.52,;17.85,-1.02,;16.6,-1.92,;17.07,-3.38,;18.61,-3.39,;19.09,-1.93,;16.82,1.67,;15.3,1.67,)| Show InChI InChI=1S/C22H26F3N7/c23-12-9-16(24)19(17(25)10-12)30-22-29-18-11-27-21(28-14-7-5-13(26)6-8-14)31-20(18)32(22)15-3-1-2-4-15/h9-11,13-15H,1-8,26H2,(H,29,30)(H,27,28,31)/t13-,14-	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50363462 (CHEMBL1946340) Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:22.22,25.26,(4.81,-38.68,;6.35,-38.68,;7.12,-37.34,;6.35,-36.01,;7.12,-34.67,;8.66,-34.68,;9.43,-33.35,;10.97,-33.34,;11.74,-32.01,;13.27,-32.01,;14.04,-33.34,;15.54,-33.66,;15.7,-35.19,;17.03,-35.96,;18.37,-35.19,;19.7,-35.96,;21.04,-35.19,;21.04,-33.64,;19.7,-32.87,;18.37,-33.64,;17.03,-32.87,;14.29,-35.82,;14.29,-37.35,;12.95,-38.11,;12.94,-39.64,;14.27,-40.42,;14.26,-41.96,;15.61,-39.66,;15.62,-38.11,;13.26,-34.67,;11.74,-34.67,;9.43,-36,;8.67,-37.34,)| Show InChI InChI=1S/C24H25FN6O2/c1-33-18-12-6-15(7-13-18)27-23-26-14-21-22(30-23)31(16-8-10-17(32)11-9-16)24(29-21)28-20-5-3-2-4-19(20)25/h2-7,12-14,16-17,32H,8-11H2,1H3,(H,28,29)(H,26,27,30)/t16-,17+	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50363464 (CHEMBL1946495) Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@@H](CC4)C(N)=O)c3n2)cc1 |r,wU:22.22,25.29,(14.63,-45.79,;16.17,-45.79,;16.94,-44.45,;16.17,-43.11,;16.94,-41.78,;18.48,-41.79,;19.25,-40.45,;20.79,-40.45,;21.56,-39.12,;23.09,-39.12,;23.86,-40.45,;25.36,-40.76,;25.52,-42.29,;26.85,-43.06,;28.19,-42.29,;29.52,-43.07,;30.86,-42.29,;30.85,-40.74,;29.52,-39.98,;28.19,-40.75,;26.85,-39.98,;24.11,-42.92,;24.11,-44.46,;22.77,-45.21,;22.77,-46.74,;24.09,-47.52,;25.43,-46.76,;25.44,-45.22,;24.08,-49.06,;25.41,-49.84,;22.74,-49.83,;23.08,-41.77,;21.56,-41.77,;19.25,-43.11,;18.49,-44.44,)| Show InChI InChI=1S/C25H26FN7O2/c1-35-18-12-8-16(9-13-18)29-24-28-14-21-23(32-24)33(17-10-6-15(7-11-17)22(27)34)25(31-21)30-20-5-3-2-4-19(20)26/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3,(H2,27,34)(H,30,31)(H,28,29,32)/t15-,17+	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50363464 (CHEMBL1946495) Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@@H](CC4)C(N)=O)c3n2)cc1 |r,wU:22.22,25.29,(14.63,-45.79,;16.17,-45.79,;16.94,-44.45,;16.17,-43.11,;16.94,-41.78,;18.48,-41.79,;19.25,-40.45,;20.79,-40.45,;21.56,-39.12,;23.09,-39.12,;23.86,-40.45,;25.36,-40.76,;25.52,-42.29,;26.85,-43.06,;28.19,-42.29,;29.52,-43.07,;30.86,-42.29,;30.85,-40.74,;29.52,-39.98,;28.19,-40.75,;26.85,-39.98,;24.11,-42.92,;24.11,-44.46,;22.77,-45.21,;22.77,-46.74,;24.09,-47.52,;25.43,-46.76,;25.44,-45.22,;24.08,-49.06,;25.41,-49.84,;22.74,-49.83,;23.08,-41.77,;21.56,-41.77,;19.25,-43.11,;18.49,-44.44,)| Show InChI InChI=1S/C25H26FN7O2/c1-35-18-12-8-16(9-13-18)29-24-28-14-21-23(32-24)33(17-10-6-15(7-11-17)22(27)34)25(31-21)30-20-5-3-2-4-19(20)26/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3,(H2,27,34)(H,30,31)(H,28,29,32)/t15-,17+	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50363467 (CHEMBL1946837) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-5.55,-13.29,;-4.78,-11.95,;-3.24,-11.96,;-2.46,-10.62,;-3.24,-9.3,;-4.78,-9.29,;-5.55,-10.62,;-2.47,-7.96,;-.93,-7.96,;-.16,-6.63,;1.37,-6.63,;2.13,-7.96,;3.64,-8.27,;3.79,-9.8,;5.12,-10.57,;6.46,-9.8,;7.79,-10.58,;9.13,-9.8,;9.12,-8.25,;10.46,-7.48,;7.79,-7.49,;6.46,-8.26,;5.13,-7.49,;2.39,-10.43,;2.39,-11.97,;1.14,-12.87,;1.61,-14.33,;3.15,-14.34,;3.63,-12.88,;1.36,-9.29,;-.16,-9.28,)| Show InChI InChI=1S/C22H27F2N7/c23-13-5-10-18(17(24)11-13)28-22-29-19-12-26-21(27-15-8-6-14(25)7-9-15)30-20(19)31(22)16-3-1-2-4-16/h5,10-12,14-16H,1-4,6-9,25H2,(H,28,29)(H,26,27,30)/t14-,15-	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50363467 (CHEMBL1946837) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-5.55,-13.29,;-4.78,-11.95,;-3.24,-11.96,;-2.46,-10.62,;-3.24,-9.3,;-4.78,-9.29,;-5.55,-10.62,;-2.47,-7.96,;-.93,-7.96,;-.16,-6.63,;1.37,-6.63,;2.13,-7.96,;3.64,-8.27,;3.79,-9.8,;5.12,-10.57,;6.46,-9.8,;7.79,-10.58,;9.13,-9.8,;9.12,-8.25,;10.46,-7.48,;7.79,-7.49,;6.46,-8.26,;5.13,-7.49,;2.39,-10.43,;2.39,-11.97,;1.14,-12.87,;1.61,-14.33,;3.15,-14.34,;3.63,-12.88,;1.36,-9.29,;-.16,-9.28,)| Show InChI InChI=1S/C22H27F2N7/c23-13-5-10-18(17(24)11-13)28-22-29-19-12-26-21(27-15-8-6-14(25)7-9-15)30-20(19)31(22)16-3-1-2-4-16/h5,10-12,14-16H,1-4,6-9,25H2,(H,28,29)(H,26,27,30)/t14-,15-	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50363456 (CHEMBL1946334) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(6.38,-21.6,;7.16,-20.27,;6.39,-18.93,;7.16,-17.6,;8.7,-17.61,;9.48,-18.94,;8.7,-20.27,;9.47,-16.28,;11.01,-16.28,;11.78,-14.94,;13.31,-14.95,;14.07,-16.28,;15.58,-16.59,;15.73,-18.12,;17.06,-18.89,;18.4,-18.12,;19.73,-18.89,;21.07,-18.12,;21.06,-16.57,;19.73,-15.8,;18.4,-16.57,;17.07,-15.8,;14.33,-18.75,;14.33,-20.28,;13.08,-21.18,;13.55,-22.65,;15.09,-22.65,;15.57,-21.19,;13.3,-17.6,;11.77,-17.6,)| Show InChI InChI=1S/C22H28FN7/c23-17-7-3-4-8-18(17)27-22-28-19-13-25-21(26-15-11-9-14(24)10-12-15)29-20(19)30(22)16-5-1-2-6-16/h3-4,7-8,13-16H,1-2,5-6,9-12,24H2,(H,27,28)(H,25,26,29)/t14-,15-	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50363456 (CHEMBL1946334) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(6.38,-21.6,;7.16,-20.27,;6.39,-18.93,;7.16,-17.6,;8.7,-17.61,;9.48,-18.94,;8.7,-20.27,;9.47,-16.28,;11.01,-16.28,;11.78,-14.94,;13.31,-14.95,;14.07,-16.28,;15.58,-16.59,;15.73,-18.12,;17.06,-18.89,;18.4,-18.12,;19.73,-18.89,;21.07,-18.12,;21.06,-16.57,;19.73,-15.8,;18.4,-16.57,;17.07,-15.8,;14.33,-18.75,;14.33,-20.28,;13.08,-21.18,;13.55,-22.65,;15.09,-22.65,;15.57,-21.19,;13.3,-17.6,;11.77,-17.6,)| Show InChI InChI=1S/C22H28FN7/c23-17-7-3-4-8-18(17)27-22-28-19-13-25-21(26-15-11-9-14(24)10-12-15)29-20(19)30(22)16-5-1-2-6-16/h3-4,7-8,13-16H,1-2,5-6,9-12,24H2,(H,27,28)(H,25,26,29)/t14-,15-	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50363450 (CHEMBL1946328) Show SMILES COc1ccc(Nc2ncc3nc(Nc4c(F)cccc4F)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C23H22F2N6O/c1-32-16-11-9-14(10-12-16)27-22-26-13-19-21(30-22)31(15-5-2-3-6-15)23(28-19)29-20-17(24)7-4-8-18(20)25/h4,7-13,15H,2-3,5-6H2,1H3,(H,28,29)(H,26,27,30)	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	46	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair

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