BDBM160122 US10047092, 63::US10053463, 63::US9040534, 63

SMILES: FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl

InChI Key: InChIKey=XYPCVHMKNGFHKW-OAHLLOKOSA-N

Data: 4 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 10 hits for monomerid = 160122   

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 (Mus musculus)	BDBM160122 (US10047092, 63 | US10053463, 63 | US9040534, 63) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160122 (US10047092, 63 | US10053463, 63 | US9040534, 63) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 US10047092 (2018) BindingDB Entry DOI: 10.7270/Q27D2X4N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160122 (US10047092, 63 | US10053463, 63 | US9040534, 63) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160122 (US10047092, 63 | US10053463, 63 | US9040534, 63) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...				US Patent US9040534 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM160122 (US10047092, 63 | US10053463, 63 | US9040534, 63) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.60	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 US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160122 (US10047092, 63 | US10053463, 63 | US9040534, 63) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	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
P2X7 rat (Rattus norvegicus (Rat))	BDBM160122 (US10047092, 63 | US10053463, 63 | US9040534, 63) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.60	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, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...				US Patent US10047092 (2018) BindingDB Entry DOI: 10.7270/Q27D2X4N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM160122 (US10047092, 63 | US10053463, 63 | US9040534, 63) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.60	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...				US Patent US9040534 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160122 (US10047092, 63 | US10053463, 63 | US9040534, 63) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...				US Patent US9040534 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160122 (US10047092, 63 | US10053463, 63 | US9040534, 63) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	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, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...				US Patent US10047092 (2018) BindingDB Entry DOI: 10.7270/Q27D2X4N
					More data for this Ligand-Target Pair