BDBM254271 US10112937, Example 166::US10150765, Example 166::US10703749, Example 166::US9464084, 166

SMILES: C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F

InChI Key: InChIKey=VWBWBQPTYDWJSA-JTQLQIEISA-N

Data: 5 KI  10 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 15 hits for monomerid = 254271   

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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	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 (Homo sapiens (Human))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	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 (Homo sapiens (Human))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	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 (Homo sapiens (Human))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	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
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	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))	BDBM254271 (US10112937, Example 166 | US10150765, Example 166 ...) Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r| Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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