BDBM160077 US10047092, 18::US10053463, 18::US9040534, 18

SMILES: C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F

InChI Key: InChIKey=RHOHIFFGKBYPCB-NSHDSACASA-N

Data: 6 KI  8 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 160077   

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))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	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 (Mus musculus)	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	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 US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	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 (Homo sapiens (Human))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	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))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	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 US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	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))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	316	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 (Homo sapiens (Human))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	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 (Homo sapiens (Human))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	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) BindingDB Entry DOI: 10.7270/Q2MW2K0Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	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) BindingDB Entry DOI: 10.7270/Q2MW2K0Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	316	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 or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	316	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))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	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))	BDBM160077 (US10047092, 18 | US10053463, 18 | US9040534, 18) Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	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 or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair