Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'king' and Initial = 'gf'   

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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50414283 (CHEMBL562308) Show SMILES OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:16:19.18.23:21,23:18:25:22.21.24,23:22:25:19.18.17,15:16:19.18.23:21,THB:17:18:21:25.16.24,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R transfected in HEK293 cells				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50414283 (CHEMBL562308) Show SMILES OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:16:19.18.23:21,23:18:25:22.21.24,23:22:25:19.18.17,15:16:19.18.23:21,THB:17:18:21:25.16.24,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R transfected in HEK293 cells				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399183 (CHEMBL2180160) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399183 (CHEMBL2180160) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506159 (CHEMBL1532400) Show SMILES CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-evoked current by patch clamp assay				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506159 (CHEMBL1532400) Show SMILES CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-evoked current by patch clamp assay				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506159 (CHEMBL1532400) Show SMILES CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506159 (CHEMBL1532400) Show SMILES CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399183 (CHEMBL2180160) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399183 (CHEMBL2180160) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399207 (CHEMBL2180179) Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399207 (CHEMBL2180179) Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506159 (CHEMBL1532400) Show SMILES CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506159 (CHEMBL1532400) Show SMILES CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399183 (CHEMBL2180160) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399183 (CHEMBL2180160) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506159 (CHEMBL1532400) Show SMILES CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506159 (CHEMBL1532400) Show SMILES CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399183 (CHEMBL2180160) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399183 (CHEMBL2180160) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399207 (CHEMBL2180179) Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399207 (CHEMBL2180179) Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399207 (CHEMBL2180179) Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399207 (CHEMBL2180179) Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50414283 (CHEMBL562308) Show SMILES OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:16:19.18.23:21,23:18:25:22.21.24,23:22:25:19.18.17,15:16:19.18.23:21,THB:17:18:21:25.16.24,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50414283 (CHEMBL562308) Show SMILES OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:16:19.18.23:21,23:18:25:22.21.24,23:22:25:19.18.17,15:16:19.18.23:21,THB:17:18:21:25.16.24,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-...				J Nat Prod 82: 2559-2567 (2019) Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP
					More data for this Ligand-Target Pair				3D Structure (crystal)