BDBM174802 US10053462, 33::US9102686, 33::US9540388, 32

SMILES: FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl

InChI Key: InChIKey=GJFWSWDCNPBEIO-BLLLJJGKSA-N

Data: 10 KI  10 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 = 174802   

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 (P2X7) (Rattus norvegicus (Rat))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.20	n/a	11	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 US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.20	n/a	13	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 US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.20	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.degree. C. On the day of the experiment, cell membrane preparations were made according...				US Patent US9102686 (2015) BindingDB Entry DOI: 10.7270/Q22V2DXP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.20	n/a	2.77E+3	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 US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.20	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.30	n/a	1.51E+3	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 US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.30	n/a	2.11E+3	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 US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.5	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.degree. C. On the day of the experiment, cell membrane preparations were made according...				US Patent US9102686 (2015) BindingDB Entry DOI: 10.7270/Q22V2DXP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.5	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	n/a	2.77E+3	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 US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.3	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.3	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca.sup.2+flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Me...				US Patent US9102686 (2015) BindingDB Entry DOI: 10.7270/Q22V2DXP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.4	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca.sup.2+flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Me...				US Patent US9102686 (2015) BindingDB Entry DOI: 10.7270/Q22V2DXP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174802 (US10053462, 33 | US9102686, 33 | US9540388, 32) Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:9:11:17.27.28:13.14.15| Show InChI InChI=1S/C21H17ClF3N5O/c22-17-13(6-4-7-14(17)21(23,24)25)20(31)30-12-5-3-9-16(30)19-28-27-18(29(19)11-12)15-8-1-2-10-26-15/h1-2,4,6-8,10,12,16H,3,5,9,11H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.4	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair