Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50039938   

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))	BDBM50386567 (CHEMBL2048437) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)C(Br)C1C3 |TLB:22:21:16.15.14:18,20:19:16:14.13.18,20:19:16.15.14:18,THB:10:12:16.15.14:18,22:15:18:19.21.12,20:19:16.15.22:13.18.12,12:21:16:14.13.18,12:13:16:19.22.21| Show InChI InChI=1S/C16H18BrCl2N3O/c17-14-9-2-7-1-8(4-9)13(10(14)3-7)16(23)22-21-15-11(18)5-20-6-12(15)19/h5-10,13-14H,1-4H2,(H,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386568 (CHEMBL2048436) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)CC1C3 |TLB:10:12:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.21:12,19:17:14:21.20.12,19:20:14:18.16.17,(.23,-.82,;1.57,-1.59,;1.57,-3.13,;2.9,-3.9,;4.24,-3.13,;4.23,-1.58,;5.56,-.8,;2.9,-.82,;2.89,.72,;4.22,1.5,;4.22,3.04,;2.88,3.8,;5.55,3.81,;6.95,3.33,;7.76,1.77,;7.86,3.33,;8.86,4.47,;7.99,5.85,;7.86,4.42,;6.56,6.37,;5.55,5.24,;6.37,3.85,)| Show InChI InChI=1S/C16H19Cl2N3O/c17-12-6-19-7-13(18)15(12)20-21-16(22)14-10-2-8-1-9(4-10)5-11(14)3-8/h6-11,14H,1-5H2,(H,19,20)(H,21,22)	PDB 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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair