BDBM160096 US10047092, 37::US10053463, 37::US9040534, 37

SMILES: C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1

InChI Key: InChIKey=CCBIRAAPSZIYOZ-VIFPVBQESA-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 = 160096   

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)	BDBM160096 (US10047092, 37 | US10053463, 37 | US9040534, 37) Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r| Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	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))	BDBM160096 (US10047092, 37 | US10053463, 37 | US9040534, 37) Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r| Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	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))	BDBM160096 (US10047092, 37 | US10053463, 37 | US9040534, 37) Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r| Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	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))	BDBM160096 (US10047092, 37 | US10053463, 37 | US9040534, 37) Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r| Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	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)	BDBM160096 (US10047092, 37 | US10053463, 37 | US9040534, 37) Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r| Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.21E+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 US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160096 (US10047092, 37 | US10053463, 37 | US9040534, 37) Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r| Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.90	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))	BDBM160096 (US10047092, 37 | US10053463, 37 | US9040534, 37) Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r| Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.21E+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, 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))	BDBM160096 (US10047092, 37 | US10053463, 37 | US9040534, 37) Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r| Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.21E+3	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))	BDBM160096 (US10047092, 37 | US10053463, 37 | US9040534, 37) Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r| Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.90	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))	BDBM160096 (US10047092, 37 | US10053463, 37 | US9040534, 37) Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r| Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.90	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