Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM312630'   

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))	BDBM312630 ((R*)-(2-chloro-3-fluorophenyl)(2,6-dimethyl-4-(1H-...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(F)c1Cl)nc(C)nc2-c1ccn[nH]1 |r| Show InChI InChI=1S/C19H17ClFN5O/c1-10-8-13-16(23-11(2)24-18(13)15-6-7-22-25-15)9-26(10)19(27)12-4-3-5-14(21)17(12)20/h3-7,10H,8-9H2,1-2H3,(H,22,25)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM312630 ((R*)-(2-chloro-3-fluorophenyl)(2,6-dimethyl-4-(1H-...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(F)c1Cl)nc(C)nc2-c1ccn[nH]1 |r| Show InChI InChI=1S/C19H17ClFN5O/c1-10-8-13-16(23-11(2)24-18(13)15-6-7-22-25-15)9-26(10)19(27)12-4-3-5-14(21)17(12)20/h3-7,10H,8-9H2,1-2H3,(H,22,25)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	66.7	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM312630 ((R*)-(2-chloro-3-fluorophenyl)(2,6-dimethyl-4-(1H-...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(F)c1Cl)nc(C)nc2-c1ccn[nH]1 |r| Show InChI InChI=1S/C19H17ClFN5O/c1-10-8-13-16(23-11(2)24-18(13)15-6-7-22-25-15)9-26(10)19(27)12-4-3-5-14(21)17(12)20/h3-7,10H,8-9H2,1-2H3,(H,22,25)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair