BDBM173337 US10323032, Example 58::US9096596, 58::US9604982, Example 58

SMILES: C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1

InChI Key:

Data: 8 KI  14 IC50  2 EC50

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 24 hits for monomerid = 173337   

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 (Rattus norvegicus (Rat))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					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...				Bioorg Med Chem 17: 5834-56 (2009) BindingDB Entry DOI: 10.7270/Q21Z46SW
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.80	n/a	n/a	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 or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.80	n/a	n/a	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 or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.80	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 US9096596 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JC6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.8	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 US9096596 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JC6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					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...				Bioorg Med Chem 17: 5834-56 (2009) BindingDB Entry DOI: 10.7270/Q21Z46SW
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.8	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.8	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed ...				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization incubat...				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization incubated for 30 mins...				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization incubat...				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization incubated for 30 mins...				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					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...				Bioorg Med Chem 17: 5834-56 (2009) BindingDB Entry DOI: 10.7270/Q21Z46SW
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					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...				Bioorg Med Chem 17: 5834-56 (2009) BindingDB Entry DOI: 10.7270/Q21Z46SW
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed ...				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.1	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 or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.1	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 or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	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 gluc...				US Patent US9096596 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JC6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.1	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 gluc...				US Patent US9096596 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JC6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM173337 (US10323032, Example 58 | US9096596, 58 | US9604982...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair