BDBM203315 (6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(4-methylpyridin-2-yl)-5,6,7,8,9,10-hexahydro-6,10-epimino[1,2,4]triazolo[4,3-a]azocine::US10053462, 194::US9540388, 194

SMILES: Cc1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F

InChI Key: InChIKey=BTNCSCISGSPPMR-SUMWQHHRSA-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 = 203315   

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))	BDBM203315 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.13.12| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-8-9-27-16(10-12)19-28-29-20-17-7-2-4-13(11-30(19)20)31(17)21(32)14-5-3-6-15(18(14)23)22(24,25)26/h3,5-6,8-10,13,17H,2,4,7,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	n/a	17	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)	BDBM203315 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.13.12| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-8-9-27-16(10-12)19-28-29-20-17-7-2-4-13(11-30(19)20)31(17)21(32)14-5-3-6-15(18(14)23)22(24,25)26/h3,5-6,8-10,13,17H,2,4,7,11H2,1H3/t13-,17+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	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))	BDBM203315 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.13.12| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-8-9-27-16(10-12)19-28-29-20-17-7-2-4-13(11-30(19)20)31(17)21(32)14-5-3-6-15(18(14)23)22(24,25)26/h3,5-6,8-10,13,17H,2,4,7,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	n/a	7.40	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))	BDBM203315 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.13.12| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-8-9-27-16(10-12)19-28-29-20-17-7-2-4-13(11-30(19)20)31(17)21(32)14-5-3-6-15(18(14)23)22(24,25)26/h3,5-6,8-10,13,17H,2,4,7,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	n/a	41	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))	BDBM203315 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.13.12| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-8-9-27-16(10-12)19-28-29-20-17-7-2-4-13(11-30(19)20)31(17)21(32)14-5-3-6-15(18(14)23)22(24,25)26/h3,5-6,8-10,13,17H,2,4,7,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	41	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))	BDBM203315 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.13.12| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-8-9-27-16(10-12)19-28-29-20-17-7-2-4-13(11-30(19)20)31(17)21(32)14-5-3-6-15(18(14)23)22(24,25)26/h3,5-6,8-10,13,17H,2,4,7,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.1	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))	BDBM203315 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.13.12| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-8-9-27-16(10-12)19-28-29-20-17-7-2-4-13(11-30(19)20)31(17)21(32)14-5-3-6-15(18(14)23)22(24,25)26/h3,5-6,8-10,13,17H,2,4,7,11H2,1H3/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.3	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 (Mus musculus)	BDBM203315 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1ccnc(c1)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.13.12| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-8-9-27-16(10-12)19-28-29-20-17-7-2-4-13(11-30(19)20)31(17)21(32)14-5-3-6-15(18(14)23)22(24,25)26/h3,5-6,8-10,13,17H,2,4,7,11H2,1H3/t13-,17+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	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