BDBM203324 (6r,10s)-11-{[3-chloro-2-(trifluoromethyl)pyridin-4-yl]carbonyl}-3-pyridin-2-yl-5,6,7,8,9,10-hexahydro-6,10-epimino[1,2,4]triazolo[4,3-a]azocine::US10053462, 199::US9540388, 199

SMILES: FC(F)(F)c1nccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl

InChI Key: InChIKey=KUKNODUFIBPIAZ-SMDDNHRTSA-N

Data: 6 KI  6 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 8 hits for monomerid = 203324   

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))	BDBM203324 ((6r,10s)-11-{[3-chloro-2-(trifluoromethyl)pyridin-...) Show SMILES FC(F)(F)c1nccc(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/C20H16ClF3N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	30	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)	BDBM203324 ((6r,10s)-11-{[3-chloro-2-(trifluoromethyl)pyridin-...) Show SMILES FC(F)(F)c1nccc(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/C20H16ClF3N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	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 (P2X7) (Rattus norvegicus (Rat))	BDBM203324 ((6r,10s)-11-{[3-chloro-2-(trifluoromethyl)pyridin-...) Show SMILES FC(F)(F)c1nccc(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/C20H16ClF3N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	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))	BDBM203324 ((6r,10s)-11-{[3-chloro-2-(trifluoromethyl)pyridin-...) Show SMILES FC(F)(F)c1nccc(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/C20H16ClF3N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	327	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))	BDBM203324 ((6r,10s)-11-{[3-chloro-2-(trifluoromethyl)pyridin-...) Show SMILES FC(F)(F)c1nccc(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/C20H16ClF3N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25	n/a	327	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))	BDBM203324 ((6r,10s)-11-{[3-chloro-2-(trifluoromethyl)pyridin-...) Show SMILES FC(F)(F)c1nccc(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/C20H16ClF3N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.1	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))	BDBM203324 ((6r,10s)-11-{[3-chloro-2-(trifluoromethyl)pyridin-...) Show SMILES FC(F)(F)c1nccc(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/C20H16ClF3N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.5	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM203324 ((6r,10s)-11-{[3-chloro-2-(trifluoromethyl)pyridin-...) Show SMILES FC(F)(F)c1nccc(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/C20H16ClF3N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.7	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