Compile Data Set for Download or QSAR

Found 4149 hits with Last Name = 'allison' and Initial = 'bd'   

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 H3 receptor (Homo sapiens (Human))	BDBM50159110 (1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...) Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1 Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217569 (4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...) Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50328940 ((4-isopropyl-1,4-diazepan-1-yl)(1-methyl-3-(morpho...) Show SMILES CC(C)N1CCCN(CC1)C(=O)c1ccc2c(CN3CCOCC3)cn(C)c2c1 Show InChI InChI=1S/C23H34N4O2/c1-18(2)26-7-4-8-27(10-9-26)23(28)19-5-6-21-20(16-24(3)22(21)15-19)17-25-11-13-29-14-12-25/h5-6,15-16,18H,4,7-14,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254320 (US10112937, Example 220 | US10150765, Example 220 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254320 (US10112937, Example 220 | US10150765, Example 220 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50328939 ((4-cyclobutylpiperazin-1-yl)(3-(morpholinomethyl)-...) Show SMILES O=C(N1CCN(CC1)C1CCC1)c1ccc2c(CN3CCOCC3)c[nH]c2c1 Show InChI InChI=1S/C22H30N4O2/c27-22(26-8-6-25(7-9-26)19-2-1-3-19)17-4-5-20-18(15-23-21(20)14-17)16-24-10-12-28-13-11-24/h4-5,14-15,19,23H,1-3,6-13,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254247 (US10112937, Example 133 | US10150765, Example 133 ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254364 (US10112937, Example 271 | US10150765, Example 271 ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1F)C(F)(F)F |r| Show InChI InChI=1S/C18H14F4N6O/c1-10-15-13(28(26-25-15)17-23-7-3-8-24-17)6-9-27(10)16(29)11-4-2-5-12(14(11)19)18(20,21)22/h2-5,7-8,10H,6,9H2,1H3/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50328942 ((4-cyclobutylpiperazin-1-yl)(3-(piperidin-1-ylmeth...) Show SMILES O=C(N1CCN(CC1)C1CCC1)c1cccc2c(CN3CCCCC3)c[nH]c12 Show InChI InChI=1S/C23H32N4O/c28-23(27-14-12-26(13-15-27)19-6-4-7-19)21-9-5-8-20-18(16-24-22(20)21)17-25-10-2-1-3-11-25/h5,8-9,16,19,24H,1-4,6-7,10-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254247 (US10112937, Example 133 | US10150765, Example 133 ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50328935 ((4-isopropylpiperazin-1-yl)(1-(methylsulfonyl)-3-(...) Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc2c(CN3CCCCC3)cn(c2c1)S(C)(=O)=O Show InChI InChI=1S/C23H34N4O3S/c1-18(2)25-11-13-26(14-12-25)23(28)19-7-8-21-20(16-24-9-5-4-6-10-24)17-27(22(21)15-19)31(3,29)30/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254310 (US10112937, Example 208 | US10150765, Example 208 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C19H16F4N6O/c1-10-6-16-15(26-27-29(16)18-24-7-12(20)8-25-18)9-28(10)17(30)13-4-3-5-14(11(13)2)19(21,22)23/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254310 (US10112937, Example 208 | US10150765, Example 208 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C19H16F4N6O/c1-10-6-16-15(26-27-29(16)18-24-7-12(20)8-25-18)9-28(10)17(30)13-4-3-5-14(11(13)2)19(21,22)23/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50328938 ((4-cyclopropylpiperazin-1-yl)(3-(morpholinomethyl)...) Show SMILES O=C(N1CCN(CC1)C1CC1)c1ccc2c(CN3CCOCC3)c[nH]c2c1 Show InChI InChI=1S/C21H28N4O2/c26-21(25-7-5-24(6-8-25)18-2-3-18)16-1-4-19-17(14-22-20(19)13-16)15-23-9-11-27-12-10-23/h1,4,13-14,18,22H,2-3,5-12,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217581 (4-(4-(1-isopropylpiperidin-4-yloxy)benzyl)morpholi...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C19H30N2O2/c1-16(2)21-9-7-19(8-10-21)23-18-5-3-17(4-6-18)15-20-11-13-22-14-12-20/h3-6,16,19H,7-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50328932 ((4-isopropylpiperazin-1-yl)(3-(morpholinomethyl)-1...) Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc2c(CN3CCOCC3)c[nH]c2c1 Show InChI InChI=1S/C21H30N4O2/c1-16(2)24-5-7-25(8-6-24)21(26)17-3-4-19-18(14-22-20(19)13-17)15-23-9-11-27-12-10-23/h3-4,13-14,16,22H,5-12,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254203 (US10112937, Example 88 | US10150765, Example 88 | ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-15-13(28(26-25-15)17-23-7-3-8-24-17)6-9-27(10)16(29)11-4-2-5-12(14(11)19)18(20,21)22/h2-5,7-8,10H,6,9H2,1H3/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254344 (US10112937, Example 249 | US10150765, Example 249 ...) Show SMILES COCCn1ccc(n1)-n1nnc2[C@H](C)N(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C20H20ClF3N6O2/c1-12-18-15(30(27-25-18)16-7-8-28(26-16)10-11-32-2)6-9-29(12)19(31)13-4-3-5-14(17(13)21)20(22,23)24/h3-5,7-8,12H,6,9-11H2,1-2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254203 (US10112937, Example 88 | US10150765, Example 88 | ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-15-13(28(26-25-15)17-23-7-3-8-24-17)6-9-27(10)16(29)11-4-2-5-12(14(11)19)18(20,21)22/h2-5,7-8,10H,6,9H2,1H3/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat P2X7 expressed in human 1321N1 cells assessed as inhibition of BzATP-induced calcium flux preincubated for 30 ...				J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254344 (US10112937, Example 249 | US10150765, Example 249 ...) Show SMILES COCCn1ccc(n1)-n1nnc2[C@H](C)N(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C20H20ClF3N6O2/c1-12-18-15(30(27-25-18)16-7-8-28(26-16)10-11-32-2)6-9-29(12)19(31)13-4-3-5-14(17(13)21)20(22,23)24/h3-5,7-8,12H,6,9-11H2,1-2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254203 (US10112937, Example 88 | US10150765, Example 88 | ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-15-13(28(26-25-15)17-23-7-3-8-24-17)6-9-27(10)16(29)11-4-2-5-12(14(11)19)18(20,21)22/h2-5,7-8,10H,6,9H2,1H3/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254374 (US10112937, Example 281 | US10703749, Example 281 ...) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)nnn2-c1ncccn1 Show InChI InChI=1S/C18H15F3N6O/c1-11-12(4-2-5-13(11)18(19,20)21)16(28)26-9-6-15-14(10-26)24-25-27(15)17-22-7-3-8-23-17/h2-5,7-8H,6,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254374 (US10112937, Example 281 | US10703749, Example 281 ...) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)nnn2-c1ncccn1 Show InChI InChI=1S/C18H15F3N6O/c1-11-12(4-2-5-13(11)18(19,20)21)16(28)26-9-6-15-14(10-26)24-25-27(15)17-22-7-3-8-23-17/h2-5,7-8H,6,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254319 (US10112937, Example 218 | US10150765, Example 218 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)c(F)c1Cl)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H12Cl2F2N6O/c1-8-4-13-12(24-25-27(13)17-22-5-9(20)6-23-17)7-26(8)16(28)10-2-3-11(18)15(21)14(10)19/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254319 (US10112937, Example 218 | US10150765, Example 218 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)c(F)c1Cl)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H12Cl2F2N6O/c1-8-4-13-12(24-25-27(13)17-22-5-9(20)6-23-17)7-26(8)16(28)10-2-3-11(18)15(21)14(10)19/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254305 (US10112937, Example 202 | US10150765, Example 202 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H13ClF4N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(20)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)19)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254305 (US10112937, Example 202 | US10150765, Example 202 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H13ClF4N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(20)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)19)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254291 (US10112937, Example 188 | US10150765, Example 188 ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1C)C(F)(F)F |r| Show InChI InChI=1S/C19H17F3N6O/c1-11-13(5-3-6-14(11)19(20,21)22)17(29)27-10-7-15-16(12(27)2)25-26-28(15)18-23-8-4-9-24-18/h3-6,8-9,12H,7,10H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254234 (US10112937, Example 119 | US10150765, Example 119 ...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ccccn1 |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-15-14(25-26-28(15)16-7-2-3-8-24-16)10-27(11)18(29)12-5-4-6-13(17(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254234 (US10112937, Example 119 | US10150765, Example 119 ...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ccccn1 |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-15-14(25-26-28(15)16-7-2-3-8-24-16)10-27(11)18(29)12-5-4-6-13(17(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254180 (US10112937, Example 65 | US10150765, Example 65 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2CCc3c(C2)nnn3-c2ncccn2)c1Cl Show InChI InChI=1S/C17H12ClF3N6O/c18-14-10(3-1-4-11(14)17(19,20)21)15(28)26-8-5-13-12(9-26)24-25-27(13)16-22-6-2-7-23-16/h1-4,6-7H,5,8-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50328931 ((4-isopropylpiperazin-1-yl)(3-(piperidin-1-ylmethy...) Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc2c(CN3CCCCC3)c[nH]c2c1 Show InChI InChI=1S/C22H32N4O/c1-17(2)25-10-12-26(13-11-25)22(27)18-6-7-20-19(15-23-21(20)14-18)16-24-8-4-3-5-9-24/h6-7,14-15,17,23H,3-5,8-13,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254326 (US10112937, Example 228 | US10150765, Example 228 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccnc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H12F5N7O/c1-8-4-12-11(26-27-29(12)16-24-5-9(18)6-25-16)7-28(8)15(30)10-2-3-23-14(13(10)19)17(20,21)22/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1nccc(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H16ClF3N6O/c1-10-6-8-24-18(25-10)29-14-7-9-28(11(2)16(14)26-27-29)17(30)12-4-3-5-13(15(12)20)19(21,22)23/h3-6,8,11H,7,9H2,1-2H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1nccc(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H16ClF3N6O/c1-10-6-8-24-18(25-10)29-14-7-9-28(11(2)16(14)26-27-29)17(30)12-4-3-5-13(15(12)20)19(21,22)23/h3-6,8,11H,7,9H2,1-2H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254254 (US10112937, Example 144 | US10150765, Example 144 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1cnccn1)C(=O)c1ccc(F)c(Cl)c1Cl |r| Show InChI InChI=1S/C17H13Cl2FN6O/c1-9-16-12(26(24-23-16)13-8-21-5-6-22-13)4-7-25(9)17(27)10-2-3-11(20)15(19)14(10)18/h2-3,5-6,8-9H,4,7H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254254 (US10112937, Example 144 | US10150765, Example 144 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1cnccn1)C(=O)c1ccc(F)c(Cl)c1Cl |r| Show InChI InChI=1S/C17H13Cl2FN6O/c1-9-16-12(26(24-23-16)13-8-21-5-6-22-13)4-7-25(9)17(27)10-2-3-11(20)15(19)14(10)18/h2-3,5-6,8-9H,4,7H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254273 (US10112937, Example 168 | US10150765, Example 168 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C19H14ClF4N5O/c1-10-8-15-14(26-27-29(15)17-13(21)6-3-7-25-17)9-28(10)18(30)11-4-2-5-12(16(11)20)19(22,23)24/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254273 (US10112937, Example 168 | US10150765, Example 168 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C19H14ClF4N5O/c1-10-8-15-14(26-27-29(15)17-13(21)6-3-7-25-17)9-28(10)18(30)11-4-2-5-12(16(11)20)19(22,23)24/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254282 (US10112937, Example 178 | US10150765, Example 178 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ncc(F)cn1)C(=O)c1cccc(c1F)C(F)(F)F |r| Show InChI InChI=1S/C18H13F5N6O/c1-9-15-13(29(27-26-15)17-24-7-10(19)8-25-17)5-6-28(9)16(30)11-3-2-4-12(14(11)20)18(21,22)23/h2-4,7-9H,5-6H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254307 (US10112937, Example 205 | US10150765, Example 205 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H13Cl2FN6O/c1-9-5-14-13(23-24-26(14)17-21-6-10(20)7-22-17)8-25(9)16(27)11-3-2-4-12(18)15(11)19/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM296291 (US10112937, Example 392) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1nccc(C)n1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C18H16Cl2N6O/c1-10-6-8-21-18(22-10)26-14-7-9-25(11(2)16(14)23-24-26)17(27)12-4-3-5-13(19)15(12)20/h3-6,8,11H,7,9H2,1-2H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254307 (US10112937, Example 205 | US10150765, Example 205 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H13Cl2FN6O/c1-9-5-14-13(23-24-26(14)17-21-6-10(20)7-22-17)8-25(9)16(27)11-3-2-4-12(18)15(11)19/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM296311 (US10112937, Example 420) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ccsc1 |r| Show InChI InChI=1S/C18H14ClF3N4OS/c1-10-7-15-14(23-24-26(15)11-5-6-28-9-11)8-25(10)17(27)12-3-2-4-13(16(12)19)18(20,21)22/h2-6,9-10H,7-8H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254326 (US10112937, Example 228 | US10150765, Example 228 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccnc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H12F5N7O/c1-8-4-12-11(26-27-29(12)16-24-5-9(18)6-25-16)7-28(8)15(30)10-2-3-23-14(13(10)19)17(20,21)22/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50328943 ((4-cyclobutylpiperazin-1-yl)(3-(morpholinomethyl)-...) Show SMILES O=C(N1CCN(CC1)C1CCC1)c1cccc2c(CN3CCOCC3)c[nH]c12 Show InChI InChI=1S/C22H30N4O2/c27-22(26-9-7-25(8-10-26)18-3-1-4-18)20-6-2-5-19-17(15-23-21(19)20)16-24-11-13-28-14-12-24/h2,5-6,15,18,23H,1,3-4,7-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 4149 total )  |  Next  |  Last  >>

Jump to: