BDBM173296 US10323032, Example 34::US9096596, 34::US9604982, Example 34

SMILES: Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl

InChI Key: InChIKey=LICQZKIJRJFVOG-UHFFFAOYSA-N

Data: 8 KI  8 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 16 hits for monomerid = 173296   

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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	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 US9096596 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JC6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	63.1	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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	63.1	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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	63.1	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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	63.1	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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	86.1	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 (P2X7) (Rattus norvegicus (Rat))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.02E+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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	86.1	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 (Rattus norvegicus (Rat))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.02E+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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	86.1	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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.02E+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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	86.1	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))	BDBM173296 (US10323032, Example 34 | US9096596, 34 | US9604982...) Show SMILES Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H15Cl2N5O/c1-10-22-15-9-25(18(26)12-3-2-4-13(19)16(12)20)8-6-11(15)17(23-10)14-5-7-21-24-14/h2-5,7H,6,8-9H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.02E+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