BDBM203318 (6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-[4-(trifluoromethyl)pyridin-2-yl]-5,6,7,8,9,10-hexahydro-6,10-epimino[1,2,4]triazolo[4,3-a]azocine::US10053462, 196::US9540388, 196

SMILES: FC(F)(F)c1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F

InChI Key: InChIKey=OGCLBDSROGVIND-BLLLJJGKSA-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 = 203318   

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))	BDBM203318 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES FC(F)(F)c1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:22:21:13.20.19:17.16.15| Show InChI InChI=1S/C22H16ClF6N5O/c23-17-13(4-2-5-14(17)22(27,28)29)20(35)34-12-3-1-6-16(34)19-32-31-18(33(19)10-12)15-9-11(7-8-30-15)21(24,25)26/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.80	n/a	1.60	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)	BDBM203318 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES FC(F)(F)c1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:22:21:13.20.19:17.16.15| Show InChI InChI=1S/C22H16ClF6N5O/c23-17-13(4-2-5-14(17)22(27,28)29)20(35)34-12-3-1-6-16(34)19-32-31-18(33(19)10-12)15-9-11(7-8-30-15)21(24,25)26/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.80	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 (Rattus norvegicus (Rat))	BDBM203318 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES FC(F)(F)c1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:22:21:13.20.19:17.16.15| Show InChI InChI=1S/C22H16ClF6N5O/c23-17-13(4-2-5-14(17)22(27,28)29)20(35)34-12-3-1-6-16(34)19-32-31-18(33(19)10-12)15-9-11(7-8-30-15)21(24,25)26/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.80	n/a	1.70	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 (Rattus norvegicus (Rat))	BDBM203318 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES FC(F)(F)c1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:22:21:13.20.19:17.16.15| Show InChI InChI=1S/C22H16ClF6N5O/c23-17-13(4-2-5-14(17)22(27,28)29)20(35)34-12-3-1-6-16(34)19-32-31-18(33(19)10-12)15-9-11(7-8-30-15)21(24,25)26/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.80	n/a	>1.00E+4	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))	BDBM203318 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES FC(F)(F)c1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:22:21:13.20.19:17.16.15| Show InChI InChI=1S/C22H16ClF6N5O/c23-17-13(4-2-5-14(17)22(27,28)29)20(35)34-12-3-1-6-16(34)19-32-31-18(33(19)10-12)15-9-11(7-8-30-15)21(24,25)26/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21.9	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))	BDBM203318 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES FC(F)(F)c1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:22:21:13.20.19:17.16.15| Show InChI InChI=1S/C22H16ClF6N5O/c23-17-13(4-2-5-14(17)22(27,28)29)20(35)34-12-3-1-6-16(34)19-32-31-18(33(19)10-12)15-9-11(7-8-30-15)21(24,25)26/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	>1.00E+4	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))	BDBM203318 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES FC(F)(F)c1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:22:21:13.20.19:17.16.15| Show InChI InChI=1S/C22H16ClF6N5O/c23-17-13(4-2-5-14(17)22(27,28)29)20(35)34-12-3-1-6-16(34)19-32-31-18(33(19)10-12)15-9-11(7-8-30-15)21(24,25)26/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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)	BDBM203318 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES FC(F)(F)c1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:22:21:13.20.19:17.16.15| Show InChI InChI=1S/C22H16ClF6N5O/c23-17-13(4-2-5-14(17)22(27,28)29)20(35)34-12-3-1-6-16(34)19-32-31-18(33(19)10-12)15-9-11(7-8-30-15)21(24,25)26/h2,4-5,7-9,12,16H,1,3,6,10H2/t12-,16+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	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