BDBM254143 US10112937, Example 21::US10150765, Example 21::US10703749, Example 21::US9464084, 21

SMILES: CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F

InChI Key: InChIKey=UGDRWAKRKFUNEE-UHFFFAOYSA-N

Data: 5 KI  12 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 17 hits for monomerid = 254143   

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))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	126	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 P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	126	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 P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10703749 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	126	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 US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux preincubated ...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78.5	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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.61E+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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78.5	n/a	n/a	n/a	n/a	n/a	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 US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	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 US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10703749 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at recombinant human P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux preincubate...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.32E+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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glu...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10703749 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254143 (US10112937, Example 21 | US10150765, Example 21 | ...) Show SMILES CC1N(CCc2c1ncn2-c1ncccc1F)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-15(29(10-27-17)18-14(22)6-3-8-26-18)7-9-28(11)19(30)12-4-2-5-13(16(12)21)20(23,24)25/h2-6,8,10-11H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78.5	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glu...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair