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BDBM254332 US10112937, Example 235::US10150765, Example 235::US10703749, Example 235::US9464084, 235
SMILES: C[C@H]1N(CCc2c1nnn2-c1nccc(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F
InChI Key: InChIKey=NNUKCIPJCGVOKK-LLVKDONJSA-N
| 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 (P2X7) (Rattus norvegicus (Rat)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet  | PC cid PC sid UniChem | US Patent | 3.10 | 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 (Rattus norvegicus (Rat)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 3.10 | 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 (P2X7) (Rattus norvegicus (Rat)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 3.10 | 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 (P2X7) (Rattus norvegicus (Rat)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 3.10 | 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 (P2X7) (Rattus norvegicus (Rat)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 3.10 | 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 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 14.1 | 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 P2X7-1321 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)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 14.1 | 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 US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 7 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 14.1 | 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)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 14.1 | 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)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 14.1 | 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 P2X7-1321 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 | |||||||||||||
| 1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Inhibition of [3H]-dofetilide binding to human ERG expressed in HEK293 cells | J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 7 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Antagonist activity at recombinant human P2X7 expressed in human 1321N1 cells assessed as inhibition of BzATP-induced calcium flux preincubated for 3... | J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 15 mins by LC-MS/MS analysis | J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins by LC-MS/MS analysis | J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by LC-MS/MS analysis | J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 15 mins by LC-MS/MS analysis | J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 7 (Rattus norvegicus (Rat)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Antagonist activity at recombinant rat P2X7 expressed in human 1321N1 cells assessed as inhibition of BzATP-induced calcium flux preincubated for 30 ... | J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 7 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.40 | 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 | |||||||||||||
| Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins by LC-MS/MS analysis | J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins by LC-MS/MS analysis | J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 6.60 | 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 (Rattus norvegicus (Rat)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 6.60 | 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 (P2X7) (Rattus norvegicus (Rat)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 6.60 | 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)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.40 | 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)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 6.60 | 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)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.40 | 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)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 6.60 | 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 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.40 | 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 | |||||||||||||
| P2X purinoceptor 7 (Homo sapiens (Human)) | BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.40 | 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 | |||||||||||||
