Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50047536   

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))	BDBM173271 (US10323032, Example 107 | US9096596, 107 | US90965...) Show SMILES Clc1cccc(C(=O)N2CCc3c(C2)ncnc3-n2nccn2)c1Cl Show InChI InChI=1S/C16H12Cl2N6O/c17-12-3-1-2-11(14(12)18)16(25)23-7-4-10-13(8-23)19-9-20-15(10)24-21-5-6-22-24/h1-3,5-6,9H,4,7-8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant ATP-gated P2X7 receptor expressed in human 1321N1 cells assessed as reduction in BzATP -induced Ca2+ fl...				ACS Med Chem Lett 7: 348-50 (2016) Article DOI: 10.1021/acsmedchemlett.6b00083 BindingDB Entry DOI: 10.7270/Q2CZ392F
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173348 (US10323032, Example 66 | US9096596, 66 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1ccc(F)c(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant ATP-gated P2X7 receptor expressed in human 1321N1 cells assessed as reduction in BzATP -induced Ca2+ fl...				ACS Med Chem Lett 7: 348-50 (2016) Article DOI: 10.1021/acsmedchemlett.6b00083 BindingDB Entry DOI: 10.7270/Q2CZ392F
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173255 (US10323032, Example 7 | US9096596, 7 | US9604982, ...) Show SMILES Clc1cccc(C(=O)N2CCc3c(C2)ncnc3-c2ccn[nH]2)c1Cl Show InChI InChI=1S/C17H13Cl2N5O/c18-12-3-1-2-11(15(12)19)17(25)24-7-5-10-14(8-24)20-9-21-16(10)13-4-6-22-23-13/h1-4,6,9H,5,7-8H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant ATP-gated P2X7 receptor expressed in human 1321N1 cells assessed as reduction in BzATP -induced Ca2+ fl...				ACS Med Chem Lett 7: 348-50 (2016) Article DOI: 10.1021/acsmedchemlett.6b00083 BindingDB Entry DOI: 10.7270/Q2CZ392F
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173260 (US10323032, Example 12 | US9096596, 12 | US9604982...) Show SMILES FC(F)(F)c1cccc(C(=O)N2CCc3c(C2)ncnc3-c2ccccn2)c1Cl Show InChI InChI=1S/C20H14ClF3N4O/c21-17-13(4-3-5-14(17)20(22,23)24)19(29)28-9-7-12-16(10-28)26-11-27-18(12)15-6-1-2-8-25-15/h1-6,8,11H,7,9-10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant ATP-gated P2X7 receptor expressed in human 1321N1 cells assessed as reduction in BzATP -induced Ca2+ fl...				ACS Med Chem Lett 7: 348-50 (2016) Article DOI: 10.1021/acsmedchemlett.6b00083 BindingDB Entry DOI: 10.7270/Q2CZ392F
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50173582 (CHEMBL3810255) Show SMILES COc1cccc(C(=O)N2Cc3nc(C)nc(-c4ccn[nH]4)c3CC2C)c1F Show InChI InChI=1S/C20H20FN5O2/c1-11-9-14-16(23-12(2)24-19(14)15-7-8-22-25-15)10-26(11)20(27)13-5-4-6-17(28-3)18(13)21/h4-8,11H,9-10H2,1-3H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant ATP-gated P2X7 receptor expressed in human 1321N1 cells assessed as reduction in BzATP -induced Ca2+ fl...				ACS Med Chem Lett 7: 348-50 (2016) Article DOI: 10.1021/acsmedchemlett.6b00083 BindingDB Entry DOI: 10.7270/Q2CZ392F
					More data for this Ligand-Target Pair