BDBM174787 US10053462, 18::US9102686, 18::US9540388, 18

SMILES: Fc1cnc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F

InChI Key: InChIKey=OKEUHBTYCIUVSL-RISCZKNCSA-N

Data: 5 KI  7 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 9 hits for monomerid = 174787   

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 (Homo sapiens (Human))	BDBM174787 (US10053462, 18 | US9102686, 18 | US9540388, 18) Show SMILES Fc1cnc(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/C20H15ClF4N6O/c21-15-12(4-2-5-13(15)20(23,24)25)19(32)31-11-3-1-6-14(31)17-28-29-18(30(17)9-11)16-26-7-10(22)8-27-16/h2,4-5,7-8,11,14H,1,3,6,9H2/t11-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13.8	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))	BDBM174787 (US10053462, 18 | US9102686, 18 | US9540388, 18) Show SMILES Fc1cnc(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/C20H15ClF4N6O/c21-15-12(4-2-5-13(15)20(23,24)25)19(32)31-11-3-1-6-14(31)17-28-29-18(30(17)9-11)16-26-7-10(22)8-27-16/h2,4-5,7-8,11,14H,1,3,6,9H2/t11-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13.8	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))	BDBM174787 (US10053462, 18 | US9102686, 18 | US9540388, 18) Show SMILES Fc1cnc(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/C20H15ClF4N6O/c21-15-12(4-2-5-13(15)20(23,24)25)19(32)31-11-3-1-6-14(31)17-28-29-18(30(17)9-11)16-26-7-10(22)8-27-16/h2,4-5,7-8,11,14H,1,3,6,9H2/t11-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	n/a	1.10	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))	BDBM174787 (US10053462, 18 | US9102686, 18 | US9540388, 18) Show SMILES Fc1cnc(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/C20H15ClF4N6O/c21-15-12(4-2-5-13(15)20(23,24)25)19(32)31-11-3-1-6-14(31)17-28-29-18(30(17)9-11)16-26-7-10(22)8-27-16/h2,4-5,7-8,11,14H,1,3,6,9H2/t11-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	n/a	8.20	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))	BDBM174787 (US10053462, 18 | US9102686, 18 | US9540388, 18) Show SMILES Fc1cnc(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/C20H15ClF4N6O/c21-15-12(4-2-5-13(15)20(23,24)25)19(32)31-11-3-1-6-14(31)17-28-29-18(30(17)9-11)16-26-7-10(22)8-27-16/h2,4-5,7-8,11,14H,1,3,6,9H2/t11-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	n/a	4.40	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 (Mus musculus)	BDBM174787 (US10053462, 18 | US9102686, 18 | US9540388, 18) Show SMILES Fc1cnc(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/C20H15ClF4N6O/c21-15-12(4-2-5-13(15)20(23,24)25)19(32)31-11-3-1-6-14(31)17-28-29-18(30(17)9-11)16-26-7-10(22)8-27-16/h2,4-5,7-8,11,14H,1,3,6,9H2/t11-,14+/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.40	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))	BDBM174787 (US10053462, 18 | US9102686, 18 | US9540388, 18) Show SMILES Fc1cnc(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/C20H15ClF4N6O/c21-15-12(4-2-5-13(15)20(23,24)25)19(32)31-11-3-1-6-14(31)17-28-29-18(30(17)9-11)16-26-7-10(22)8-27-16/h2,4-5,7-8,11,14H,1,3,6,9H2/t11-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.40	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))	BDBM174787 (US10053462, 18 | US9102686, 18 | US9540388, 18) Show SMILES Fc1cnc(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/C20H15ClF4N6O/c21-15-12(4-2-5-13(15)20(23,24)25)19(32)31-11-3-1-6-14(31)17-28-29-18(30(17)9-11)16-26-7-10(22)8-27-16/h2,4-5,7-8,11,14H,1,3,6,9H2/t11-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	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))	BDBM174787 (US10053462, 18 | US9102686, 18 | US9540388, 18) Show SMILES Fc1cnc(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/C20H15ClF4N6O/c21-15-12(4-2-5-13(15)20(23,24)25)19(32)31-11-3-1-6-14(31)17-28-29-18(30(17)9-11)16-26-7-10(22)8-27-16/h2,4-5,7-8,11,14H,1,3,6,9H2/t11-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	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