BDBM174813 US10053462, 44::US9102686, 44::US9540388, 44

SMILES: Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2

InChI Key: InChIKey=BAFAGPLAUVJQTL-SUMWQHHRSA-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 = 174813   

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))	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/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 (P2X7) (Rattus norvegicus (Rat))	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt 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 (Mus musculus)	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/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))	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13	n/a	7.70	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))	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13	n/a	8.49E+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))	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13	n/a	3.98E+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 (P2X7) (Rattus norvegicus (Rat))	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13	n/a	3.98E+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 (Homo sapiens (Human))	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.70	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 (Mus musculus)	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.49E+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))	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.49E+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))	BDBM174813 (US10053462, 44 | US9102686, 44 | US9540388, 44) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:18.28.29:15.16| Show InChI InChI=1S/C21H18F3N5O/c1-12-14(5-4-6-15(12)21(22,23)24)20(30)29-13-8-9-17(29)19-27-26-18(28(19)11-13)16-7-2-3-10-25-16/h2-7,10,13,17H,8-9,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.70	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