BDBM203332 (6r,10s)-11-{[2-methyl-3-(trifluoromethyl)phenyl]carbonyl}-3-pyridin-2-yl-5,6,7,8,9,10-hexahydro-6,10-epimino[1,2,4]triazolo[4,3-a]azocine::US10053462, 201::US9540388, 201

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

InChI Key: InChIKey=ZRDLOQRHDZBNHI-KBXCAEBGSA-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 = 203332   

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))	BDBM203332 ((6r,10s)-11-{[2-methyl-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C22H20F3N5O/c1-13-15(7-5-8-16(13)22(23,24)25)21(31)30-14-6-4-10-18(30)20-28-27-19(29(20)12-14)17-9-2-3-11-26-17/h2-3,5,7-9,11,14,18H,4,6,10,12H2,1H3/t14-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	14	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)	BDBM203332 ((6r,10s)-11-{[2-methyl-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C22H20F3N5O/c1-13-15(7-5-8-16(13)22(23,24)25)21(31)30-14-6-4-10-18(30)20-28-27-19(29(20)12-14)17-9-2-3-11-26-17/h2-3,5,7-9,11,14,18H,4,6,10,12H2,1H3/t14-,18+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	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))	BDBM203332 ((6r,10s)-11-{[2-methyl-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C22H20F3N5O/c1-13-15(7-5-8-16(13)22(23,24)25)21(31)30-14-6-4-10-18(30)20-28-27-19(29(20)12-14)17-9-2-3-11-26-17/h2-3,5,7-9,11,14,18H,4,6,10,12H2,1H3/t14-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	726	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))	BDBM203332 ((6r,10s)-11-{[2-methyl-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C22H20F3N5O/c1-13-15(7-5-8-16(13)22(23,24)25)21(31)30-14-6-4-10-18(30)20-28-27-19(29(20)12-14)17-9-2-3-11-26-17/h2-3,5,7-9,11,14,18H,4,6,10,12H2,1H3/t14-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	10	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))	BDBM203332 ((6r,10s)-11-{[2-methyl-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C22H20F3N5O/c1-13-15(7-5-8-16(13)22(23,24)25)21(31)30-14-6-4-10-18(30)20-28-27-19(29(20)12-14)17-9-2-3-11-26-17/h2-3,5,7-9,11,14,18H,4,6,10,12H2,1H3/t14-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.5	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 (Homo sapiens (Human))	BDBM203332 ((6r,10s)-11-{[2-methyl-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C22H20F3N5O/c1-13-15(7-5-8-16(13)22(23,24)25)21(31)30-14-6-4-10-18(30)20-28-27-19(29(20)12-14)17-9-2-3-11-26-17/h2-3,5,7-9,11,14,18H,4,6,10,12H2,1H3/t14-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	10	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))	BDBM203332 ((6r,10s)-11-{[2-methyl-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C22H20F3N5O/c1-13-15(7-5-8-16(13)22(23,24)25)21(31)30-14-6-4-10-18(30)20-28-27-19(29(20)12-14)17-9-2-3-11-26-17/h2-3,5,7-9,11,14,18H,4,6,10,12H2,1H3/t14-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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)	BDBM203332 ((6r,10s)-11-{[2-methyl-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C22H20F3N5O/c1-13-15(7-5-8-16(13)22(23,24)25)21(31)30-14-6-4-10-18(30)20-28-27-19(29(20)12-14)17-9-2-3-11-26-17/h2-3,5,7-9,11,14,18H,4,6,10,12H2,1H3/t14-,18+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	726	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