Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'jiang' and Initial = 'lh'   

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
p2X7 purinoceptor (Canis lupus familiaris)	BDBM50087267 ((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of dog P2X7 receptor				Bioorg Med Chem Lett 25: 3164-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.001 BindingDB Entry DOI: 10.7270/Q22N5427
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50404070 (CHEMBL338117) Show SMILES Oc1csc(=O)n1C(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,16,21,28H,4,7,15H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of human P2X7 receptor				Bioorg Med Chem Lett 25: 3164-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.001 BindingDB Entry DOI: 10.7270/Q22N5427
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50087267 ((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of human P2X7 receptor				Bioorg Med Chem Lett 25: 3164-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.001 BindingDB Entry DOI: 10.7270/Q22N5427
					More data for this Ligand-Target Pair
P2X purinoceptor (Cavia porcellus)	BDBM50087267 ((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Leeds Curated by ChEMBL					Assay Description Inhibition of guinea pig P2X7 receptor				Bioorg Med Chem Lett 25: 3164-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.001 BindingDB Entry DOI: 10.7270/Q22N5427
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50045333 (CHEBI:90705 | SB-203580) Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of human P2X7 receptor				Bioorg Med Chem Lett 25: 3164-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.001 BindingDB Entry DOI: 10.7270/Q22N5427
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234433 (CHEMBL4065605) Show SMILES CC12CC3CC1(C)CC3(C2)C(=O)NNc1ccccc1Cl |TLB:2:1:7:3.4,4:3:9:7.5,THB:2:3:7:9.1,0:1:7:3.4| Show InChI InChI=1S/C17H21ClN2O/c1-15-7-11-8-16(15,2)10-17(11,9-15)14(21)20-19-13-6-4-3-5-12(13)18/h3-6,11,19H,7-10H2,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				Bioorg Med Chem Lett 27: 759-763 (2017) Article DOI: 10.1016/j.bmcl.2017.01.039 BindingDB Entry DOI: 10.7270/Q2RF5X8K
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50045333 (CHEBI:90705 | SB-203580) Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of rat P2X7 receptor				Bioorg Med Chem Lett 25: 3164-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.001 BindingDB Entry DOI: 10.7270/Q22N5427
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50087267 ((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				Bioorg Med Chem Lett 27: 759-763 (2017) Article DOI: 10.1016/j.bmcl.2017.01.039 BindingDB Entry DOI: 10.7270/Q2RF5X8K
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234434 (CHEMBL4076285) Show SMILES Clc1ccccc1NNC(=O)C12C3C=CC4C3C3C(C=CC13)C24 |c:14,21,TLB:14:15:12.11:18.17,14:15:12:21.17,9:11:13.14:16,THB:18:22:13.14:16,18:22:12:21.17,21:11:13.14:16,17:16:13.14:11.22| Show InChI InChI=1S/C19H17ClN2O/c20-13-3-1-2-4-14(13)21-22-18(23)19-11-7-5-9-15(11)16-10(17(9)19)6-8-12(16)19/h1-12,15-17,21H,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				Bioorg Med Chem Lett 27: 759-763 (2017) Article DOI: 10.1016/j.bmcl.2017.01.039 BindingDB Entry DOI: 10.7270/Q2RF5X8K
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50404070 (CHEMBL338117) Show SMILES Oc1csc(=O)n1C(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,16,21,28H,4,7,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of rat P2X7 receptor				Bioorg Med Chem Lett 25: 3164-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.001 BindingDB Entry DOI: 10.7270/Q22N5427
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50087267 ((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of rat P2X7 receptor				Bioorg Med Chem Lett 25: 3164-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.001 BindingDB Entry DOI: 10.7270/Q22N5427
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234430 (CHEMBL4074868) Show SMILES FC(F)(F)c1ccccc1NNC(=O)C12C3C=CC4C3C3C(C=CC13)C24 |c:17,24,TLB:17:18:15.14:21.20,17:18:15:24.20,12:14:16.17:19,THB:21:25:16.17:19,21:25:15:24.20,24:14:16.17:19,20:19:16.17:14.25| Show InChI InChI=1S/C20H17F3N2O/c21-20(22,23)11-3-1-2-4-14(11)24-25-18(26)19-12-7-5-9-15(12)16-10(17(9)19)6-8-13(16)19/h1-10,12-13,15-17,24H,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				Bioorg Med Chem Lett 27: 759-763 (2017) Article DOI: 10.1016/j.bmcl.2017.01.039 BindingDB Entry DOI: 10.7270/Q2RF5X8K
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234432 (CHEMBL4075515) Show SMILES FC(F)(F)c1ccccc1NNC(=O)C12C3CCC4C3C3C(CCC13)C24 |TLB:17:18:15.14:21.20,17:18:15:24.20,12:14:16.17:19,THB:21:25:16.17:19,21:25:15:24.20,24:14:16.17:19,20:19:16.17:14.25| Show InChI InChI=1S/C20H21F3N2O/c21-20(22,23)11-3-1-2-4-14(11)24-25-18(26)19-12-7-5-9-15(12)16-10(17(9)19)6-8-13(16)19/h1-4,9-10,12-13,15-17,24H,5-8H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				Bioorg Med Chem Lett 27: 759-763 (2017) Article DOI: 10.1016/j.bmcl.2017.01.039 BindingDB Entry DOI: 10.7270/Q2RF5X8K
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234435 (CHEMBL4087608) Show SMILES Clc1ccccc1NNC(=O)C12C3CCC4C3C3C(CCC13)C24 |TLB:14:15:12.11:18.17,14:15:12:21.17,9:11:13.14:16,THB:18:22:13.14:16,18:22:12:21.17,21:11:13.14:16,17:16:13.14:11.22| Show InChI InChI=1S/C19H21ClN2O/c20-13-3-1-2-4-14(13)21-22-18(23)19-11-7-5-9-15(11)16-10(17(9)19)6-8-12(16)19/h1-4,9-12,15-17,21H,5-8H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				Bioorg Med Chem Lett 27: 759-763 (2017) Article DOI: 10.1016/j.bmcl.2017.01.039 BindingDB Entry DOI: 10.7270/Q2RF5X8K
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234431 (CHEMBL4066254) Show SMILES FC(F)(F)c1ccc(NNC(=O)C23C4C=CC5C4C4C(C=CC24)C35)c(Cl)c1 |c:14,21,TLB:15:16:13.12:19.18,15:16:13:22.18,10:12:14.15:17,THB:19:23:14.15:17,19:23:13:22.18,22:12:14.15:17,18:17:14.15:12.23| Show InChI InChI=1S/C20H16ClF3N2O/c21-13-7-8(20(22,23)24)1-6-14(13)25-26-18(27)19-11-4-2-9-15(11)16-10(17(9)19)3-5-12(16)19/h1-7,9-12,15-17,25H,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				Bioorg Med Chem Lett 27: 759-763 (2017) Article DOI: 10.1016/j.bmcl.2017.01.039 BindingDB Entry DOI: 10.7270/Q2RF5X8K
					More data for this Ligand-Target Pair