BDBM174781 US10053462, 12::US9102686, 12::US9540388, 12

SMILES: Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F

InChI Key: InChIKey=KAXAHUBBXCYPAA-WBMJQRKESA-N

Data: 8 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 12 hits for monomerid = 174781   

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 (Mus musculus)	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	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))	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	n/a	1.48E+4	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 (P2X7) (Rattus norvegicus (Rat))	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	n/a	37	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))	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	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.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))	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.6	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))	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.6	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))	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13	n/a	1.48E+4	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 (Homo sapiens (Human))	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.3	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))	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36.6	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))	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.3	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 (Mus musculus)	BDBM174781 (US10053462, 12 | US9102686, 12 | US9540388, 12) Show SMILES Fc1ccc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C21H16ClF4N5O/c22-17-13(4-2-5-14(17)21(24,25)26)20(32)31-12-3-1-6-16(31)19-29-28-18(30(19)10-12)15-8-7-11(23)9-27-15/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36.6	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 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