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SMILES: C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F

InChI Key: InChIKey=FMFQOPWVQJKIAD-JTQLQIEISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 160075   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...				US Patent US9040534 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	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 US10047092 (2018) BindingDB Entry DOI: 10.7270/Q27D2X4N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	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 US10047092 (2018) BindingDB Entry DOI: 10.7270/Q27D2X4N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...				US Patent US9040534 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	64.6	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...				US Patent US10047092 (2018) BindingDB Entry DOI: 10.7270/Q27D2X4N
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of dofetilide from human ERG channel				Bioorg Med Chem Lett 26: 257-61 (2016) Article DOI: 10.1016/j.bmcl.2015.12.052 BindingDB Entry DOI: 10.7270/Q2MW2K0Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [3H]JNJ-54232334 from P2X7 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 26: 257-61 (2016) Article DOI: 10.1016/j.bmcl.2015.12.052 BindingDB Entry DOI: 10.7270/Q2MW2K0Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...				US Patent US10047092 (2018) BindingDB Entry DOI: 10.7270/Q27D2X4N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor expressed in 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux after 30 mins by FLIPR assay				Bioorg Med Chem Lett 26: 257-61 (2016) Article DOI: 10.1016/j.bmcl.2015.12.052 BindingDB Entry DOI: 10.7270/Q2MW2K0Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux after 30 mins by FLIPR assay				Bioorg Med Chem Lett 26: 257-61 (2016) Article DOI: 10.1016/j.bmcl.2015.12.052 BindingDB Entry DOI: 10.7270/Q2MW2K0Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	64.6	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...				US Patent US9040534 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...				US Patent US9040534 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P6W
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM160075 (US10047092, 16 | US9040534, 16) Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 26: 257-61 (2016) Article DOI: 10.1016/j.bmcl.2015.12.052 BindingDB Entry DOI: 10.7270/Q2MW2K0Z
					More data for this Ligand-Target Pair