Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'salmeron' and Initial = 'ja'   

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
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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251532 (4-(carbamimidoyl)-N-(3,4-dimethoxyphenyl)-2-phenyl...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C28H30N6O3/c1-20-9-7-8-12-23(20)32-27(30-19-29)33-15-16-34(24(18-33)21-10-5-4-6-11-21)28(35)31-22-13-14-25(36-2)26(17-22)37-3/h4-14,17,24H,15-16,18H2,1-3H3,(H,30,32)(H,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251606 (CHEMBL479359 | N-(4-chlorophenyl)-4-[N'-cyano-N-(q...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1cccc2ncccc12)C(=O)Nc1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C25H26ClN7O/c1-17(2)23-15-32(25(34)30-19-10-8-18(26)9-11-19)13-14-33(23)24(29-16-27)31-22-7-3-6-21-20(22)5-4-12-28-21/h3-12,17,23H,13-15H2,1-2H3,(H,29,31)(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251637 (CHEMBL519095 | N-(4-chlorophenyl)-4-[N'-cyano-N-(1...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1cccc2[nH]ccc12)C(=O)Nc1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C24H26ClN7O/c1-16(2)22-14-31(24(33)29-18-8-6-17(25)7-9-18)12-13-32(22)23(28-15-26)30-21-5-3-4-20-19(21)10-11-27-20/h3-11,16,22,27H,12-14H2,1-2H3,(H,28,30)(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					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
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251638 (CHEMBL480700 | N-(4-chlorophenyl)-4-[N'-cyano-N-(1...) Show SMILES Clc1ccc(NC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2cccc3[nH]ccc23)cc1 |w:24.26| Show InChI InChI=1S/C27H24ClN7O/c28-20-9-11-21(12-10-20)32-27(36)35-16-15-34(17-25(35)19-5-2-1-3-6-19)26(31-18-29)33-24-8-4-7-23-22(24)13-14-30-23/h1-14,25,30H,15-17H2,(H,31,33)(H,32,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251606 (CHEMBL479359 | N-(4-chlorophenyl)-4-[N'-cyano-N-(q...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1cccc2ncccc12)C(=O)Nc1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C25H26ClN7O/c1-17(2)23-15-32(25(34)30-19-10-8-18(26)9-11-19)13-14-33(23)24(29-16-27)31-22-7-3-6-21-20(22)5-4-12-28-21/h3-12,17,23H,13-15H2,1-2H3,(H,29,31)(H,30,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251604 (CHEMBL479358 | N-(4-chlorophenyl)-4-[N'-cyano-N-(2...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1ccccc1C)C(=O)Nc1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C23H27ClN6O/c1-16(2)21-14-29(23(31)27-19-10-8-18(24)9-11-19)12-13-30(21)22(26-15-25)28-20-7-5-4-6-17(20)3/h4-11,16,21H,12-14H2,1-3H3,(H,26,28)(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251680 (4-[N'-cyano-N-(1,2,3,4-tetrahydroquinolin-5-yl)car...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1cccc2NCCCc12)C(=O)Nc1cccc(F)c1 |w:13.14| Show InChI InChI=1S/C25H30FN7O/c1-17(2)23-15-32(25(34)30-19-7-3-6-18(26)14-19)12-13-33(23)24(29-16-27)31-22-10-4-9-21-20(22)8-5-11-28-21/h3-4,6-7,9-10,14,17,23,28H,5,8,11-13,15H2,1-2H3,(H,29,31)(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251607 (4-(carbamimidoyl)-N-(4-chlorophenyl)-2-isopropylpi...) Show SMILES CC(C)C1CN(CCN1C(=O)Nc1ccc(Cl)cc1)C(NC#N)=Nc1cccc2ncccc12 |w:23.25| Show InChI InChI=1S/C25H26ClN7O/c1-17(2)23-15-32(13-14-33(23)25(34)30-19-10-8-18(26)9-11-19)24(29-16-27)31-22-7-3-6-21-20(22)5-4-12-28-21/h3-12,17,23H,13-15H2,1-2H3,(H,29,31)(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					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
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251607 (4-(carbamimidoyl)-N-(4-chlorophenyl)-2-isopropylpi...) Show SMILES CC(C)C1CN(CCN1C(=O)Nc1ccc(Cl)cc1)C(NC#N)=Nc1cccc2ncccc12 |w:23.25| Show InChI InChI=1S/C25H26ClN7O/c1-17(2)23-15-32(13-14-33(23)25(34)30-19-10-8-18(26)9-11-19)24(29-16-27)31-22-7-3-6-21-20(22)5-4-12-28-21/h3-12,17,23H,13-15H2,1-2H3,(H,29,31)(H,30,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251717 (CHEMBL520580 | N-(4-chlorophenyl)-4-[N'-cyano-N-(2...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1cccc2nc(C)ccc12)C(=O)Nc1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C26H28ClN7O/c1-17(2)24-15-33(26(35)31-20-10-8-19(27)9-11-20)13-14-34(24)25(29-16-28)32-23-6-4-5-22-21(23)12-7-18(3)30-22/h4-12,17,24H,13-15H2,1-3H3,(H,29,32)(H,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251533 (CHEMBL518308 | N-(4-chlorophenyl)-4-(N'-cyano-N-o-...) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7| Show InChI InChI=1S/C26H25ClN6O/c1-19-7-5-6-10-23(19)31-25(29-18-28)32-15-16-33(24(17-32)20-8-3-2-4-9-20)26(34)30-22-13-11-21(27)12-14-22/h2-14,24H,15-17H2,1H3,(H,29,31)(H,30,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251637 (CHEMBL519095 | N-(4-chlorophenyl)-4-[N'-cyano-N-(1...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1cccc2[nH]ccc12)C(=O)Nc1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C24H26ClN7O/c1-16(2)22-14-31(24(33)29-18-8-6-17(25)7-9-18)12-13-32(22)23(28-15-26)30-21-5-3-4-20-19(21)10-11-27-20/h3-11,16,22,27H,12-14H2,1-2H3,(H,28,30)(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251715 (CHEMBL481483 | N-(4-chlorophenyl)-4-[N'-cyano-N-(1...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1cccc2CNCCc12)C(=O)Nc1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C25H30ClN7O/c1-17(2)23-15-32(25(34)30-20-8-6-19(26)7-9-20)12-13-33(23)24(29-16-27)31-22-5-3-4-18-14-28-11-10-21(18)22/h3-9,17,23,28H,10-15H2,1-2H3,(H,29,31)(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251605 (4-(carbamimidoyl)-N-(4-chlorophenyl)-2-isopropylpi...) Show SMILES CC(C)C1CN(CCN1C(=O)Nc1ccc(Cl)cc1)C(NC#N)=Nc1ccccc1C |w:23.25| Show InChI InChI=1S/C23H27ClN6O/c1-16(2)21-14-29(22(26-15-25)28-20-7-5-4-6-17(20)3)12-13-30(21)23(31)27-19-10-8-18(24)9-11-19/h4-11,16,21H,12-14H2,1-3H3,(H,26,28)(H,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251605 (4-(carbamimidoyl)-N-(4-chlorophenyl)-2-isopropylpi...) Show SMILES CC(C)C1CN(CCN1C(=O)Nc1ccc(Cl)cc1)C(NC#N)=Nc1ccccc1C |w:23.25| Show InChI InChI=1S/C23H27ClN6O/c1-16(2)21-14-29(22(26-15-25)28-20-7-5-4-6-17(20)3)12-13-30(21)23(31)27-19-10-8-18(24)9-11-19/h4-11,16,21H,12-14H2,1-3H3,(H,26,28)(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					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
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251604 (CHEMBL479358 | N-(4-chlorophenyl)-4-[N'-cyano-N-(2...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1ccccc1C)C(=O)Nc1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C23H27ClN6O/c1-16(2)21-14-29(23(31)27-19-10-8-18(24)9-11-19)12-13-30(21)22(26-15-25)28-20-7-5-4-6-17(20)3/h4-11,16,21H,12-14H2,1-3H3,(H,26,28)(H,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50265353 (4-(4'-methoxybiphenyl-4-yloxy)-2-(2H-tetrazol-5-yl...) Show SMILES COc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H15N5O2S/c1-27-15-6-2-13(3-7-15)14-4-8-16(9-5-14)28-18-11-22-12-20-17(18)10-19(29-20)21-23-25-26-24-21/h2-12H,1H3,(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	130	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251638 (CHEMBL480700 | N-(4-chlorophenyl)-4-[N'-cyano-N-(1...) Show SMILES Clc1ccc(NC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2cccc3[nH]ccc23)cc1 |w:24.26| Show InChI InChI=1S/C27H24ClN7O/c28-20-9-11-21(12-10-20)32-27(36)35-16-15-34(17-25(35)19-5-2-1-3-6-19)26(31-18-29)33-24-8-4-7-23-22(24)13-14-30-23/h1-14,25,30H,15-17H2,(H,31,33)(H,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251533 (CHEMBL518308 | N-(4-chlorophenyl)-4-(N'-cyano-N-o-...) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7| Show InChI InChI=1S/C26H25ClN6O/c1-19-7-5-6-10-23(19)31-25(29-18-28)32-15-16-33(24(17-32)20-8-3-2-4-9-20)26(34)30-22-13-11-21(27)12-14-22/h2-14,24H,15-17H2,1H3,(H,29,31)(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50234969 (CHEMBL402832 | N'-cyano-4-(2-(3,4-dimethoxyphenyl)...) Show SMILES COc1ccc(CC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C29H31N5O3/c1-21-9-7-8-12-24(21)32-29(31-20-30)33-15-16-34(25(19-33)23-10-5-4-6-11-23)28(35)18-22-13-14-26(36-2)27(17-22)37-3/h4-14,17,25H,15-16,18-19H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264738 (4-(2'-chlorobiphenyl-4-yloxy)-2-(2H-tetrazol-5-yl)...) Show SMILES Clc1ccccc1-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C20H12ClN5OS/c21-16-4-2-1-3-14(16)12-5-7-13(8-6-12)27-17-10-22-11-19-15(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	150	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	150	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
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251717 (CHEMBL520580 | N-(4-chlorophenyl)-4-[N'-cyano-N-(2...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1cccc2nc(C)ccc12)C(=O)Nc1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C26H28ClN7O/c1-17(2)24-15-33(26(35)31-20-10-8-19(27)9-11-20)13-14-34(24)25(29-16-28)32-23-6-4-5-22-21(23)12-7-18(3)30-22/h4-12,17,24H,13-15H2,1-3H3,(H,29,32)(H,31,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264740 (4-(4'-fluorobiphenyl-4-yloxy)-2-(2H-tetrazol-5-yl)...) Show SMILES Fc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C20H12FN5OS/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	170	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
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251532 (4-(carbamimidoyl)-N-(3,4-dimethoxyphenyl)-2-phenyl...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C28H30N6O3/c1-20-9-7-8-12-23(20)32-27(30-19-29)33-15-16-34(24(18-33)21-10-5-4-6-11-21)28(35)31-22-13-14-25(36-2)26(17-22)37-3/h4-14,17,24H,15-16,18H2,1-3H3,(H,30,32)(H,31,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251715 (CHEMBL481483 | N-(4-chlorophenyl)-4-[N'-cyano-N-(1...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1cccc2CNCCc12)C(=O)Nc1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C25H30ClN7O/c1-17(2)23-15-32(25(34)30-20-8-6-19(26)7-9-20)12-13-33(23)24(29-16-27)31-22-5-3-4-18-14-28-11-10-21(18)22/h3-9,17,23,28H,10-15H2,1-2H3,(H,29,31)(H,30,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264741 (4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...) Show SMILES Nc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C20H14N6OS/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,21H2,(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	230	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))	BDBM50265352 (4-(3'-methoxybiphenyl-4-yloxy)-2-(2H-tetrazol-5-yl...) Show SMILES COc1cccc(c1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H15N5O2S/c1-27-16-4-2-3-14(9-16)13-5-7-15(8-6-13)28-18-11-22-12-20-17(18)10-19(29-20)21-23-25-26-24-21/h2-12H,1H3,(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	240	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251639 (4-[N'-cyano-N-(1H-indazol-4-yl)carbamimidoyl]-N-(3...) Show SMILES CC(C)C1CN(CCN1C(NC#N)=Nc1cccc2[nH]ncc12)C(=O)Nc1cccc(F)c1 |w:13.14| Show InChI InChI=1S/C23H25FN8O/c1-15(2)21-13-31(23(33)28-17-6-3-5-16(24)11-17)9-10-32(21)22(26-14-25)29-19-7-4-8-20-18(19)12-27-30-20/h3-8,11-12,15,21H,9-10,13H2,1-2H3,(H,26,29)(H,27,30)(H,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264742 (2-(2H-tetrazol-5-yl)-4-(4'-(trifluoromethyl)biphen...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H12F3N5OS/c22-21(23,24)14-5-1-12(2-6-14)13-3-7-15(8-4-13)30-17-10-25-11-19-16(17)9-18(31-19)20-26-28-29-27-20/h1-11H,(H,26,27,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251534 (4-(carbamimidoyl)-N-(4-chlorophenyl)-N-methyl-2-ph...) Show SMILES CN(C(=O)N1CCN(CC1c1ccccc1)C(NC#N)=Nc1ccccc1C)c1ccc(Cl)cc1 |w:20.22| Show InChI InChI=1S/C27H27ClN6O/c1-20-8-6-7-11-24(20)31-26(30-19-29)33-16-17-34(25(18-33)21-9-4-3-5-10-21)27(35)32(2)23-14-12-22(28)13-15-23/h3-15,25H,16-18H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50265351 (4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...) Show SMILES N#Cc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H12N6OS/c22-10-13-1-3-14(4-2-13)15-5-7-16(8-6-15)28-18-11-23-12-20-17(18)9-19(29-20)21-24-26-27-25-21/h1-9,11-12H,(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	310	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251564 (4-(1-(o-toluidino)-2-nitrovinyl)-N-(4-chlorophenyl...) Show SMILES Cc1ccccc1N=C(C[N+]([O-])=O)N1CCN(C(C1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7| Show InChI InChI=1S/C26H26ClN5O3/c1-19-7-5-6-10-23(19)29-25(18-32(34)35)30-15-16-31(24(17-30)20-8-3-2-4-9-20)26(33)28-22-13-11-21(27)12-14-22/h2-14,24H,15-18H2,1H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50265349 (4-(2'-methoxybiphenyl-4-yloxy)-2-(2H-tetrazol-5-yl...) Show SMILES COc1ccccc1-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H15N5O2S/c1-27-17-5-3-2-4-15(17)13-6-8-14(9-7-13)28-18-11-22-12-20-16(18)10-19(29-20)21-23-25-26-24-21/h2-12H,1H3,(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	320	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))	BDBM50265275 (4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c...) Show SMILES Ic1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C14H8IN5OS/c15-8-1-3-9(4-2-8)21-11-6-16-7-13-10(11)5-12(22-13)14-17-19-20-18-14/h1-7H,(H,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251677 (CHEMBL479577 | N-(4-chlorophenyl)-4-(N'-cyano-N-{2...) Show SMILES CN(C)Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 |w:10.10| Show InChI InChI=1S/C28H30ClN7O/c1-34(2)18-22-10-6-7-11-25(22)33-27(31-20-30)35-16-17-36(26(19-35)21-8-4-3-5-9-21)28(37)32-24-14-12-23(29)13-15-24/h3-15,26H,16-19H2,1-2H3,(H,31,33)(H,32,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50265276 (CHEMBL498592 | N-hydroxy-4-(4-iodophenoxy)thieno[2...) Show SMILES ONC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1 Show InChI InChI=1S/C14H9IN2O3S/c15-8-1-3-9(4-2-8)20-11-6-16-7-13-10(11)5-12(21-13)14(18)17-19/h1-7,19H,(H,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251535 (4-(4-chlorophenylsulfonyl)-N'-cyano-3-phenyl-N-o-t...) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 |w:7.7| Show InChI InChI=1S/C25H24ClN5O2S/c1-19-7-5-6-10-23(19)29-25(28-18-27)30-15-16-31(24(17-30)20-8-3-2-4-9-20)34(32,33)22-13-11-21(26)12-14-22/h2-14,24H,15-17H2,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264742 (2-(2H-tetrazol-5-yl)-4-(4'-(trifluoromethyl)biphen...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H12F3N5OS/c22-21(23,24)14-5-1-12(2-6-14)13-3-7-15(8-4-13)30-17-10-25-11-19-16(17)9-18(31-19)20-26-28-29-27-20/h1-11H,(H,26,27,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	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
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50265312 (4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno...) Show SMILES CC(C)(C)c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C18H17N5OS/c1-18(2,3)11-4-6-12(7-5-11)24-14-9-19-10-16-13(14)8-15(25-16)17-20-22-23-21-17/h4-10H,1-3H3,(H,20,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	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
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50251566 (CHEMBL21149 | N1-(4-chlorophenyl)-2-phenyl-N4-o-to...) Show SMILES Cc1ccccc1NC(=O)N1CCN(C(C1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClN4O2/c1-18-7-5-6-10-22(18)28-24(31)29-15-16-30(23(17-29)19-8-3-2-4-9-19)25(32)27-21-13-11-20(26)12-14-21/h2-14,23H,15-17H2,1H3,(H,27,32)(H,28,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234969 (CHEMBL402832 | N'-cyano-4-(2-(3,4-dimethoxyphenyl)...) Show SMILES COc1ccc(CC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C29H31N5O3/c1-21-9-7-8-12-24(21)32-29(31-20-30)33-15-16-34(25(19-33)23-10-5-4-6-11-23)28(35)18-22-13-14-26(36-2)27(17-22)37-3/h4-14,17,25H,15-16,18-19H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50265311 (4-(4-chlorophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3...) Show SMILES Clc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C14H8ClN5OS/c15-8-1-3-9(4-2-8)21-11-6-16-7-13-10(11)5-12(22-13)14-17-19-20-18-14/h1-7H,(H,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251566 (CHEMBL21149 | N1-(4-chlorophenyl)-2-phenyl-N4-o-to...) Show SMILES Cc1ccccc1NC(=O)N1CCN(C(C1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClN4O2/c1-18-7-5-6-10-22(18)28-24(31)29-15-16-30(23(17-29)19-8-3-2-4-9-19)25(32)27-21-13-11-20(26)12-14-21/h2-14,23H,15-17H2,1H3,(H,27,32)(H,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair

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