BDBM246945 (5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(5-fluoropyridin-2-yl)-5-methyl-5,6-dihydrobis[1,2,4]triazolo[4,3-a:3′,4′-c]pyrazine::US10053463, 102

SMILES: C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12

InChI Key: InChIKey=BUQWIZXBSIQSFB-VIFPVBQESA-N

Data: 2 KI  2 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 4 hits for monomerid = 246945   

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))	BDBM246945 ((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(5-f...) Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12 |r| Show InChI InChI=1S/C19H12ClF4N7/c1-9-8-30-16(13-6-5-10(21)7-25-13)27-28-17(30)18-29-26-15(31(9)18)11-3-2-4-12(14(11)20)19(22,23)24/h2-7,9H,8H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	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 US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM246945 ((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(5-f...) Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12 |r| Show InChI InChI=1S/C19H12ClF4N7/c1-9-8-30-16(13-6-5-10(21)7-25-13)27-28-17(30)18-29-26-15(31(9)18)11-3-2-4-12(14(11)20)19(22,23)24/h2-7,9H,8H2,1H3/t9-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	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 US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM246945 ((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(5-f...) Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12 |r| Show InChI InChI=1S/C19H12ClF4N7/c1-9-8-30-16(13-6-5-10(21)7-25-13)27-28-17(30)18-29-26-15(31(9)18)11-3-2-4-12(14(11)20)19(22,23)24/h2-7,9H,8H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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 US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM246945 ((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(5-f...) Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12 |r| Show InChI InChI=1S/C19H12ClF4N7/c1-9-8-30-16(13-6-5-10(21)7-25-13)27-28-17(30)18-29-26-15(31(9)18)11-3-2-4-12(14(11)20)19(22,23)24/h2-7,9H,8H2,1H3/t9-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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 US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair