Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'gelens' and Initial = 'e'   

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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50009073 (4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.339	-54.1	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22542 (4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...) Show SMILES C(C1CCNCC1)c1cnc[nH]1 Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.407	-53.6	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50052024 (CHEMBL787 | montelukast) Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |r| Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22548 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimeth...) Show SMILES CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6| Show InChI InChI=1S/C17H21N3O/c1-12-9-17(2,3)20-16(21-12)14-6-4-5-13(7-14)8-15-10-18-11-19-15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-51.4	n/a	n/a	2	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064085 (CHEMBL285070 | N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-ch...) Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C27H18N6O4/c34-23-14-24(26-30-32-33-31-26)37-25-20(23)5-3-7-22(25)29-27(35)17-9-12-19(13-10-17)36-15-18-11-8-16-4-1-2-6-21(16)28-18/h1-14H,15H2,(H,29,35)(H,30,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22538 (4-Benzyl-1H-imidazole derivative, 19 | 4-{[3-(2-ph...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C18H14N2/c1-2-5-15(6-3-1)9-10-16-7-4-8-17(11-16)12-18-13-19-14-20-18/h1-8,11,13-14H,12H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064083 (7-{(E)-2-[3-(Quinolin-2-ylmethoxy)-phenyl]-vinyl}-...) Show SMILES O=c1cc(oc2cc(\C=C\c3cccc(OCc4ccc5ccccc5n4)c3)ccc12)-c1nnn[nH]1 Show InChI InChI=1S/C28H19N5O3/c34-25-16-27(28-30-32-33-31-28)36-26-15-19(10-13-23(25)26)9-8-18-4-3-6-22(14-18)35-17-21-12-11-20-5-1-2-7-24(20)29-21/h1-16H,17H2,(H,30,31,32,33)/b9-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22540 (4-Benzyl-1H-imidazole derivative, 21 | 4-{[3-(pent...) Show SMILES CCCC#Cc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C15H16N2/c1-2-3-4-6-13-7-5-8-14(9-13)10-15-11-16-12-17-15/h5,7-9,11-12H,2-3,10H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064084 (7-[3-(Quinolin-2-ylmethoxy)-benzyloxy]-2-(1H-tetra...) Show SMILES O=c1cc(oc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)-c1nnn[nH]1 Show InChI InChI=1S/C27H19N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-13-21(10-11-22(24)25)34-15-17-4-3-6-20(12-17)35-16-19-9-8-18-5-1-2-7-23(18)28-19/h1-14H,15-16H2,(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22529 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-...) Show SMILES CC1(C)COC(=N1)c1cccc(Cc2cnc[nH]2)c1 |c:5| Show InChI InChI=1S/C15H17N3O/c1-15(2)9-19-14(18-15)12-5-3-4-11(6-12)7-13-8-16-10-17-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.9	n/a	n/a	16	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22537 (4-Benzyl-1H-imidazole derivative, 18 | 4-{[3-(3,3-...) Show SMILES CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C16H18N2/c1-16(2,3)8-7-13-5-4-6-14(9-13)10-15-11-17-12-18-15/h4-6,9,11-12H,10H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.9	n/a	n/a	8	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22536 (1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylb...) Show SMILES CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22537 (4-Benzyl-1H-imidazole derivative, 18 | 4-{[3-(3,3-...) Show SMILES CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C16H18N2/c1-16(2,3)8-7-13-5-4-6-14(9-13)10-15-11-17-12-18-15/h4-6,9,11-12H,10H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064086 (CHEMBL283754 | Cinalukast | N-{3-[(E)-2-(4-Cyclobu...) Show SMILES CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C2CCC2)c1)C(O)=O Show InChI InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22548 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimeth...) Show SMILES CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6| Show InChI InChI=1S/C17H21N3O/c1-12-9-17(2,3)20-16(21-12)14-6-4-5-13(7-14)8-15-10-18-11-19-15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22536 (1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylb...) Show SMILES CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	-42.8	n/a	n/a	79	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22533 (4-Benzyl-1H-imidazole derivative, 14 | 4-[(3-pheny...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C16H14N2/c1-2-6-14(7-3-1)15-8-4-5-13(9-15)10-16-11-17-12-18-16/h1-9,11-12H,10H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	33	-42.7	n/a	n/a	200	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22549 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azasp...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)C1=NC2(CCCC2)CO1 |t:14| Show InChI InChI=1S/C17H19N3O/c1-2-7-17(6-1)11-21-16(20-17)14-5-3-4-13(8-14)9-15-10-18-12-19-15/h3-5,8,10,12H,1-2,6-7,9,11H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	-42.2	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22534 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]pyridine | 4-B...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C15H13N3/c1-2-7-17-15(6-1)13-5-3-4-12(8-13)9-14-10-16-11-18-14/h1-8,10-11H,9H2,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	-42.2	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22550 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-1-oxa-3-azasp...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)C1=NCC2(CCCCC2)O1 |t:14| Show InChI InChI=1S/C18H21N3O/c1-2-7-18(8-3-1)12-20-17(22-18)15-6-4-5-14(9-15)10-16-11-19-13-21-16/h4-6,9,11,13H,1-3,7-8,10,12H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22552 ((4R)-4-benzyl-2-[3-(1H-imidazol-4-ylmethyl)phenyl]...) Show SMILES C([C@@H]1COC(=N1)c1cccc(Cc2cnc[nH]2)c1)c1ccccc1 |r,c:4| Show InChI InChI=1S/C20H19N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h1-9,12,14,19H,10-11,13H2,(H,21,22)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	89	-40.2	n/a	n/a	79	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22531 (3-(1H-imidazol-4-ylmethyl)benzonitrile | 4-Benzyl-...) Show SMILES N#Cc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C11H9N3/c12-6-10-3-1-2-9(4-10)5-11-7-13-8-14-11/h1-4,7-8H,5H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	155	-38.9	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22532 (4-Benzyl-1H-imidazole derivative, 13 | 4-benzyl-1H...) Show SMILES C(c1cnc[nH]1)c1ccccc1 Show InChI InChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8H,6H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	162	-38.8	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22547 (4-(1H-imidazol-4-ylmethyl)aniline | 4-Benzyl-1H-im...) Show SMILES Nc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C10H11N3/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5,11H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	257	-37.6	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22545 (4-Benzyl-1H-imidazole derivative, 23 | 4-[(4-bromo...) Show SMILES Brc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C10H9BrN2/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	417	-36.4	n/a	n/a	631	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22535 (4-Benzyl-1H-imidazole derivative, 16 | 4-[3-(1H-im...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccncc1 Show InChI InChI=1S/C15H13N3/c1-2-12(9-15-10-17-11-18-15)8-14(3-1)13-4-6-16-7-5-13/h1-8,10-11H,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	427	-36.4	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22546 (4-Benzyl-1H-imidazole derivative, 24 | 4-{[4-(3,3-...) Show SMILES CC(C)(C)C#Cc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2/c1-16(2,3)9-8-13-4-6-14(7-5-13)10-15-11-17-12-18-15/h4-7,11-12H,10H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	537	-35.8	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22551 (4-(cyclohexylmethyl)-2-[3-(1H-imidazol-4-ylmethyl)...) Show SMILES C(C1COC(=N1)c1cccc(Cc2cnc[nH]2)c1)C1CCCCC1 |c:4| Show InChI InChI=1S/C20H25N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h4,7-9,12,14-15,19H,1-3,5-6,10-11,13H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	708	-35.1	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22544 (4-(1H-imidazol-4-ylmethyl)benzonitrile | 4-Benzyl-...) Show SMILES N#Cc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C11H9N3/c12-6-10-3-1-9(2-4-10)5-11-7-13-8-14-11/h1-4,7-8H,5H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	813	-34.8	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22539 (4-({3-[2-(naphthalen-1-yl)ethynyl]phenyl}methyl)-1...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)C#Cc1cccc2ccccc12 Show InChI InChI=1S/C22H16N2/c1-2-10-22-19(7-1)8-4-9-20(22)12-11-17-5-3-6-18(13-17)14-21-15-23-16-24-21/h1-10,13,15-16H,14H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.74E+3	-32.9	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22553 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-5,5-dimethyl-...) Show SMILES CC1(C)COC(=NC1)c1cccc(Cc2cnc[nH]2)c1 |c:5| Show InChI InChI=1S/C16H19N3O/c1-16(2)9-18-15(20-10-16)13-5-3-4-12(6-13)7-14-8-17-11-19-14/h3-6,8,11H,7,9-10H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22543 (2-[4-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-...) Show SMILES CC1(C)COC(=N1)c1ccc(Cc2cnc[nH]2)cc1 |c:5| Show InChI InChI=1S/C15H17N3O/c1-15(2)9-19-14(18-15)12-5-3-11(4-6-12)7-13-8-16-10-17-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50023198 (8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...) Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1 Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50045580 (CHEMBL3120970) Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C24H20FN7/c1-15(16-5-3-2-4-6-16)28-23-27-13-11-19(29-23)22-21(17-7-9-18(25)10-8-17)31-24-30-20(26)12-14-32(22)24/h2-15H,1H3,(H2,26,30,31)(H,27,28,29)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064072 (4-Oxo-2-[3-(quinolin-2-ylmethoxy)-phenyl]-4H-chrom...) Show SMILES OC(=O)c1cccc2c1oc(cc2=O)-c1cccc(OCc2ccc3ccccc3n2)c1 Show InChI InChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)8-4-9-21(25)26(29)30)17-6-3-7-19(13-17)31-15-18-12-11-16-5-1-2-10-22(16)27-18/h1-14H,15H2,(H,29,30)	PDB UniProtKB/SwissProt 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
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064074 (4-Oxo-2-[3-((E)-2-quinolin-2-yl-vinyl)-phenyl]-4H-...) Show SMILES OC(=O)c1cccc2c1oc(cc2=O)-c1cccc(\C=C\c2ccc3ccccc3n2)c1 Show InChI InChI=1S/C27H17NO4/c29-24-16-25(32-26-21(24)8-4-9-22(26)27(30)31)19-7-3-5-17(15-19)11-13-20-14-12-18-6-1-2-10-23(18)28-20/h1-16H,(H,30,31)/b13-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50045333 (CHEBI:90705 | SB-203580) Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50496088 (CHEMBL3120173) Show SMILES C[N+](C)(C)CCO.Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C([O-])=O Show InChI InChI=1S/C24H17FN6O2/c1-30-22(16-9-11-26-12-10-16)21(15-5-7-18(25)8-6-15)27-23(30)20-14-31(29-28-20)19-4-2-3-17(13-19)24(32)33/h2-14H,1H3,(H,32,33)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50045577 (CHEMBL3120986) Show SMILES Cl.Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)[C@H]1CCNC[C@@H]1F |r| Show InChI InChI=1S/C22H21F2N7/c1-30-21(15-6-9-25-10-7-15)20(14-2-4-16(23)5-3-14)27-22(30)18-13-31(29-28-18)19-8-11-26-12-17(19)24/h2-7,9-10,13,17,19,26H,8,11-12H2,1H3/t17-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50045572 (CHEMBL3120960) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1c[nH]nn1 Show InChI InChI=1S/C17H13FN6/c1-24-16(12-6-8-19-9-7-12)15(11-2-4-13(18)5-3-11)21-17(24)14-10-20-23-22-14/h2-10H,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50045573 (CHEMBL3120995) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H17FN6O2/c1-30-22(16-10-12-26-13-11-16)21(15-2-6-18(25)7-3-15)27-23(30)20-14-31(29-28-20)19-8-4-17(5-9-19)24(32)33/h2-14H,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50045574 (CHEMBL3120983) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C24H17FN6O2/c1-30-22(16-9-11-26-12-10-16)21(15-5-7-18(25)8-6-15)27-23(30)20-14-31(29-28-20)19-4-2-3-17(13-19)24(32)33/h2-14H,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50496086 (CHEMBL3120996) Show SMILES OC(=O)c1ccc(cc1)-n1cc(nn1)-c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H14FN5O3/c24-17-5-1-14(2-6-17)20-21(15-9-11-25-12-10-15)32-22(26-20)19-13-29(28-27-19)18-7-3-16(4-8-18)23(30)31/h1-13H,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50496073 (CHEMBL3120984) Show SMILES [Na;v0+].[Na;v0+].[#6]-n1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(-[#6]-[#6]-[#8]P([#8-])([#8-])=O)nn1 Show InChI InChI=1S/C19H18FN6O4P/c1-25-18(14-6-8-21-9-7-14)17(13-2-4-15(20)5-3-13)22-19(25)16-12-26(24-23-16)10-11-30-31(27,28)29/h2-9,12H,10-11H2,1H3,(H2,27,28,29)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50496070 (CHEMBL3120987) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(=O)NCCCO Show InChI InChI=1S/C27H24FN7O2/c1-34-25(19-10-13-29-14-11-19)24(18-6-8-21(28)9-7-18)31-26(34)23-17-35(33-32-23)22-5-2-4-20(16-22)27(37)30-12-3-15-36/h2,4-11,13-14,16-17,36H,3,12,15H2,1H3,(H,30,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50045579 (CHEMBL3120985) Show SMILES [Na+].[Na+].Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(CCP([O-])([O-])=O)nn1 Show InChI InChI=1S/C19H18FN6O3P/c1-25-18(14-6-8-21-9-7-14)17(13-2-4-15(20)5-3-13)22-19(25)16-12-26(24-23-16)10-11-30(27,28)29/h2-9,12H,10-11H2,1H3,(H2,27,28,29)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50496079 (CHEMBL3120961) Show SMILES Fc1ccc(cc1)-c1nc(oc1-c1ccncc1)-c1c[nH]nn1 Show InChI InChI=1S/C16H10FN5O/c17-12-3-1-10(2-4-12)14-15(11-5-7-18-8-6-11)23-16(20-14)13-9-19-22-21-13/h1-9H,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50496064 (CHEMBL3120975) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(C[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 |r| Show InChI InChI=1S/C23H23FN6O5/c1-29-18(13-6-8-25-9-7-13)17(12-2-4-14(24)5-3-12)26-22(29)15-10-30(28-27-15)11-16-19(31)20(32)21(33)23(34)35-16/h2-10,16,19-21,23,31-34H,11H2,1H3/t16-,19-,20+,21-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50496067 (CHEMBL3120971) Show SMILES Cn1cnc(c1-c1ccncc1)-c1ccc(F)cc1 Show InChI InChI=1S/C15H12FN3/c1-19-10-18-14(11-2-4-13(16)5-3-11)15(19)12-6-8-17-9-7-12/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair

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