Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'fix-stenzel' and Initial = 's'   

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
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26399 (14-fluoro-6-(piperazin-1-yl)-3,5-diazatricyclo[9.4...) Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccc(F)cc3-c2n1 Show InChI InChI=1S/C17H20FN5/c18-12-5-4-11-2-1-3-13-15(14(11)10-12)21-17(19)22-16(13)23-8-6-20-7-9-23/h4-5,10,20H,1-3,6-9H2,(H2,19,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.45	-50.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	-48.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	-48.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26397 (2,4-diamino-5,6-disubstituted pyrimidine, 11 | 6-[...) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r| Show InChI InChI=1S/C18H23N5/c1-20-13-9-10-23(11-13)17-15-8-4-6-12-5-2-3-7-14(12)16(15)21-18(19)22-17/h2-3,5,7,13,20H,4,6,8-11H2,1H3,(H2,19,21,22)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	-48.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26398 (2,4-diamino-5,6-disubstituted pyrimidine, 12 | 6-[...) Show SMILES CNC1CN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 Show InChI InChI=1S/C17H21N5/c1-19-12-9-22(10-12)16-14-8-4-6-11-5-2-3-7-13(11)15(14)20-17(18)21-16/h2-3,5,7,12,19H,4,6,8-10H2,1H3,(H2,18,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	-48.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26396 (2,4-diamino-5,6-disubstituted pyrimidine, 10 | 6-[...) Show SMILES N[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r| Show InChI InChI=1S/C17H21N5/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21)/t12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	-48.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26391 (5-chloro-2-(piperazin-1-ylcarbonyl)-1H-indole | JN...) Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C13H14ClN3O/c14-10-1-2-11-9(7-10)8-12(16-11)13(18)17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4	-47.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26400 (2,4-diamino-5,6-disubstituted pyrimidine, 14 | 9-p...) Show SMILES Nc1nc2C(CCCCc2c(n1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.5	-47.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26396 (2,4-diamino-5,6-disubstituted pyrimidine, 10 | 6-[...) Show SMILES N[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r| Show InChI InChI=1S/C17H21N5/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	-47.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26394 (2,4-diamino-5,6-disubstituted pyrimidine, 8 | 4-(p...) Show SMILES Nc1nc-2c(Cc3ccccc-23)c(n1)N1CCNCC1 Show InChI InChI=1S/C15H17N5/c16-15-18-13-11-4-2-1-3-10(11)9-12(13)14(19-15)20-7-5-17-6-8-20/h1-4,17H,5-9H2,(H2,16,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	-47.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26390 (4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-ami...) Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	5	-47.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26399 (14-fluoro-6-(piperazin-1-yl)-3,5-diazatricyclo[9.4...) Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccc(F)cc3-c2n1 Show InChI InChI=1S/C17H20FN5/c18-12-5-4-11-2-1-3-13-15(14(11)10-12)21-17(19)22-16(13)23-8-6-20-7-9-23/h4-5,10,20H,1-3,6-9H2,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10	-47.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26397 (2,4-diamino-5,6-disubstituted pyrimidine, 11 | 6-[...) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r| Show InChI InChI=1S/C18H23N5/c1-20-13-9-10-23(11-13)17-15-8-4-6-12-5-2-3-7-14(12)16(15)21-18(19)22-17/h2-3,5,7,13,20H,4,6,8-11H2,1H3,(H2,19,21,22)/t13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10	-47.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26392 (2,4-diamino-5,6-disubstituted pyrimidine, 6 | 6-(4...) Show SMILES CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21 Show InChI InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	-47.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26395 (2,4-diamino-5,6-disubstituted pyrimidine, 9 | 6-(p...) Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1 Show InChI InChI=1S/C17H21N5/c18-17-20-15-13-6-2-1-4-12(13)5-3-7-14(15)16(21-17)22-10-8-19-9-11-22/h1-2,4,6,19H,3,5,7-11H2,(H2,18,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.60	-46.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26393 (2,4-diamino-5,6-disubstituted pyrimidine, 7 | 6-(p...) Show SMILES Nc1nc(N2CCNCC2)c2CCc3ccccc3-c2n1 Show InChI InChI=1S/C16H19N5/c17-16-19-14-12-4-2-1-3-11(12)5-6-13(14)15(20-16)21-9-7-18-8-10-21/h1-4,18H,5-10H2,(H2,17,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20	-45.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26398 (2,4-diamino-5,6-disubstituted pyrimidine, 12 | 6-[...) Show SMILES CNC1CN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 Show InChI InChI=1S/C17H21N5/c1-19-12-9-22(10-12)16-14-8-4-6-11-5-2-3-7-13(11)15(14)20-17(18)21-16/h2-3,5,7,12,19H,4,6,8-10H2,1H3,(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11	-45.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26394 (2,4-diamino-5,6-disubstituted pyrimidine, 8 | 4-(p...) Show SMILES Nc1nc-2c(Cc3ccccc-23)c(n1)N1CCNCC1 Show InChI InChI=1S/C15H17N5/c16-15-18-13-11-4-2-1-3-10(11)9-12(13)14(19-15)20-7-5-17-6-8-20/h1-4,17H,5-9H2,(H2,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	-45.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26390 (4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-ami...) Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	14	-44.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26392 (2,4-diamino-5,6-disubstituted pyrimidine, 6 | 6-(4...) Show SMILES CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21 Show InChI InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15.5	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26391 (5-chloro-2-(piperazin-1-ylcarbonyl)-1H-indole | JN...) Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C13H14ClN3O/c14-10-1-2-11-9(7-10)8-12(16-11)13(18)17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	26	-43.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26229 (2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...) Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	35	-42.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26229 (2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...) Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	35	-42.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26400 (2,4-diamino-5,6-disubstituted pyrimidine, 14 | 9-p...) Show SMILES Nc1nc2C(CCCCc2c(n1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)	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
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26230 (2-Aminopyrimidine analog., 25 | 4-[2-amino-6-(pipe...) Show SMILES Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	-42.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26230 (2-Aminopyrimidine analog., 25 | 4-[2-amino-6-(pipe...) Show SMILES Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	-42.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26393 (2,4-diamino-5,6-disubstituted pyrimidine, 7 | 6-(p...) Show SMILES Nc1nc(N2CCNCC2)c2CCc3ccccc3-c2n1 Show InChI InChI=1S/C16H19N5/c17-16-19-14-12-4-2-1-3-11(12)5-6-13(14)15(20-16)21-9-7-18-8-10-21/h1-4,18H,5-10H2,(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	51.9	-41.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26395 (2,4-diamino-5,6-disubstituted pyrimidine, 9 | 6-(p...) Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1 Show InChI InChI=1S/C17H21N5/c18-17-20-15-13-6-2-1-4-12(13)5-3-7-14(15)16(21-17)22-10-8-19-9-11-22/h1-2,4,6,19H,3,5,7-11H2,(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Patents Similars	Article PubMed	71	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM26230 (2-Aminopyrimidine analog., 25 | 4-[2-amino-6-(pipe...) Show SMILES Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	-39.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM26229 (2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...) Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	245	-37.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26229 (2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...) Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	275	-37.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26229 (2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...) Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	275	-37.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26230 (2-Aminopyrimidine analog., 25 | 4-[2-amino-6-(pipe...) Show SMILES Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	339	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26230 (2-Aminopyrimidine analog., 25 | 4-[2-amino-6-(pipe...) Show SMILES Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	339	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6547-57 (2008) Article DOI: 10.1021/jm800670r BindingDB Entry DOI: 10.7270/Q2KH0KM5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM26230 (2-Aminopyrimidine analog., 25 | 4-[2-amino-6-(pipe...) Show SMILES Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	933	-34.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM26229 (2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...) Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.29E+3	-33.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.32E+3	-33.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.24E+3	-32.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 6571-80 (2008) Article DOI: 10.1021/jm8005959 BindingDB Entry DOI: 10.7270/Q24J0CD9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264866 (4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H14N6O2S/c22-20(28)14-3-1-12(2-4-14)13-5-7-15(8-6-13)29-17-10-23-11-19-16(17)9-18(30-19)21-24-26-27-25-21/h1-11H,(H2,22,28)(H,24,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human recombinant COT by HTRF-based assay				Bioorg Med Chem Lett 18: 4952-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.037 BindingDB Entry DOI: 10.7270/Q23J3CTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM28043 (7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-...) Show SMILES Nc1ncc(-c2cccc(c2)-c2ccccc2)c2cc(sc12)C(O)=O Show InChI InChI=1S/C20H14N2O2S/c21-19-18-15(10-17(25-18)20(23)24)16(11-22-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,22)(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...				Bioorg Med Chem Lett 19: 1722-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.088 BindingDB Entry DOI: 10.7270/Q2VH5M4P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264865 ((4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl...) Show SMILES OCc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H15N5O2S/c27-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)28-18-10-22-11-20-17(18)9-19(29-20)21-23-25-26-24-21/h1-11,27H,12H2,(H,23,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human recombinant COT by HTRF-based assay				Bioorg Med Chem Lett 18: 4952-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.037 BindingDB Entry DOI: 10.7270/Q23J3CTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM28037 (4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES OC(=O)c1cc2c(cncc2s1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H13NO2S/c22-20(23)18-10-16-17(11-21-12-19(16)24-18)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...				Bioorg Med Chem Lett 19: 1722-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.088 BindingDB Entry DOI: 10.7270/Q2VH5M4P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264773 (4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C23H18N6O2S/c1-29(2)23(30)16-5-3-14(4-6-16)15-7-9-17(10-8-15)31-19-12-24-13-21-18(19)11-20(32-21)22-25-27-28-26-22/h3-13H,1-2H3,(H,25,26,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human recombinant COT by HTRF-based assay				Bioorg Med Chem Lett 18: 4952-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.037 BindingDB Entry DOI: 10.7270/Q23J3CTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM28039 (5-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]-1H...) Show SMILES c1c(sc2cncc(-c3cccc(c3)-c3ccccc3)c12)-c1nnn[nH]1 Show InChI InChI=1S/C20H13N5S/c1-2-5-13(6-3-1)14-7-4-8-15(9-14)17-11-21-12-19-16(17)10-18(26-19)20-22-24-25-23-20/h1-12H,(H,22,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...				Bioorg Med Chem Lett 19: 1722-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.088 BindingDB Entry DOI: 10.7270/Q2VH5M4P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50265350 (4-(4'-chlorobiphenyl-4-yloxy)-2-(2H-tetrazol-5-yl)...) Show SMILES Clc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C20H12ClN5OS/c21-14-5-1-12(2-6-14)13-3-7-15(8-4-13)27-17-10-22-11-19-16(17)9-18(28-19)20-23-25-26-24-20/h1-11H,(H,23,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human recombinant COT by HTRF-based assay				Bioorg Med Chem Lett 18: 4952-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.037 BindingDB Entry DOI: 10.7270/Q23J3CTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264739 (4-(3'-chlorobiphenyl-4-yloxy)-2-(2H-tetrazol-5-yl)...) Show SMILES Clc1cccc(c1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C20H12ClN5OS/c21-14-3-1-2-13(8-14)12-4-6-15(7-5-12)27-17-10-22-11-19-16(17)9-18(28-19)20-23-25-26-24-20/h1-11H,(H,23,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human recombinant COT by HTRF-based assay				Bioorg Med Chem Lett 18: 4952-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.037 BindingDB Entry DOI: 10.7270/Q23J3CTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM28042 (5-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-1...) Show SMILES O(c1ccc(cc1)-c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1 Show InChI InChI=1S/C20H13N5OS/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)26-17-11-21-12-19-16(17)10-18(27-19)20-22-24-25-23-20/h1-12H,(H,22,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...				Bioorg Med Chem Lett 19: 1722-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.088 BindingDB Entry DOI: 10.7270/Q2VH5M4P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264866 (4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H14N6O2S/c22-20(28)14-3-1-12(2-4-14)13-5-7-15(8-6-13)29-17-10-23-11-19-16(17)9-18(30-19)21-24-26-27-25-21/h1-11H,(H2,22,28)(H,24,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of COT (unknown origin) by cell-based HTRF assay				Bioorg Med Chem Lett 18: 4952-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.037 BindingDB Entry DOI: 10.7270/Q23J3CTH
					More data for this Ligand-Target Pair

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