BDBM254204 US10112937, Example 89::US10150765, Example 89::US9464084, 89

SMILES: FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl

InChI Key: InChIKey=OJNWOZWHLNFENO-UHFFFAOYSA-N

Data: 4 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 = 254204   

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))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	15.8	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 US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	15.8	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 P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	908	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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	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 US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	908	n/a	n/a	n/a	n/a	n/a	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 US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	908	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glu...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glu...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254204 (US10112937, Example 89 | US10150765, Example 89 | ...) Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3nnn(c3C=C2)-c2cnccn2)c1Cl Show InChI InChI=1S/C17H10ClF3N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	908	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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair