BDBM208271 US9266835, 44
SMILES: FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI Key: InChIKey=NFALLRQTKNBMAC-UHFFFAOYSA-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 |
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Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15... | US Patent US9266835 (2016) BindingDB Entry DOI: 10.7270/Q2SN07TZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | 5.23E+3 | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15... | US Patent US9266835 (2016) BindingDB Entry DOI: 10.7270/Q2SN07TZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | 7.4 | 30 |
Janssen Pharmaceutica NV US Patent | Assay Description Experimental Procedure CB-1 Membrane Binding: Into Greiner V bottom polypropylene plates, hCB1-CHO-K1 membranes (2 ug/well final concentration) in as... | US Patent US9266835 (2016) BindingDB Entry DOI: 10.7270/Q2SN07TZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | 53 | n/a | n/a | 7.4 | 30 |
Janssen Pharmaceutica NV US Patent | Assay Description Experimental Procedure CB-2 Membrane Binding: Into Greiner V bottom polypropylene plates, hCB2-HEK293 membranes (2 ug/well final concentration) in as... | US Patent US9266835 (2016) BindingDB Entry DOI: 10.7270/Q2SN07TZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM208271 (US9266835, 44) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development Curated by ChEMBL | Assay Description Inhibition of human ERG | J Med Chem 61: 10276-10298 (2018) Article DOI: 10.1021/acs.jmedchem.8b01467 BindingDB Entry DOI: 10.7270/Q2PR7ZPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Janssen Research & Development Curated by ChEMBL | Assay Description Inverse agonist activity at human CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins ... | J Med Chem 61: 10276-10298 (2018) Article DOI: 10.1021/acs.jmedchem.8b01467 BindingDB Entry DOI: 10.7270/Q2PR7ZPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | 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 Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 to 30 mins by LC/MS analysis | J Med Chem 61: 10276-10298 (2018) Article DOI: 10.1021/acs.jmedchem.8b01467 BindingDB Entry DOI: 10.7270/Q2PR7ZPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | 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 Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam/testosterone as substrate after 10 to 30 mins by LC/MS analysis | J Med Chem 61: 10276-10298 (2018) Article DOI: 10.1021/acs.jmedchem.8b01467 BindingDB Entry DOI: 10.7270/Q2PR7ZPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | 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 Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 10 to 30 mins by LC/MS analysis | J Med Chem 61: 10276-10298 (2018) Article DOI: 10.1021/acs.jmedchem.8b01467 BindingDB Entry DOI: 10.7270/Q2PR7ZPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development Curated by ChEMBL | Assay Description Displacement of [3H]-rimonabant from human CB1 receptor expressed in CHO cell membranes after 60 mins by TopCount method | J Med Chem 61: 10276-10298 (2018) Article DOI: 10.1021/acs.jmedchem.8b01467 BindingDB Entry DOI: 10.7270/Q2PR7ZPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development Curated by ChEMBL | Assay Description Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO-K1 cell membranes | J Med Chem 61: 10276-10298 (2018) Article DOI: 10.1021/acs.jmedchem.8b01467 BindingDB Entry DOI: 10.7270/Q2PR7ZPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | 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 Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 10 to 30 mins by LC/MS analysis | J Med Chem 61: 10276-10298 (2018) Article DOI: 10.1021/acs.jmedchem.8b01467 BindingDB Entry DOI: 10.7270/Q2PR7ZPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 8.20 | n/a | n/a | n/a | n/a |
Janssen Research & Development Curated by ChEMBL | Assay Description Inverse agonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins ... | J Med Chem 61: 10276-10298 (2018) Article DOI: 10.1021/acs.jmedchem.8b01467 BindingDB Entry DOI: 10.7270/Q2PR7ZPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM208271 (US9266835, 44) | 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 Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 to 30 mins by LC/MS analysis | J Med Chem 61: 10276-10298 (2018) Article DOI: 10.1021/acs.jmedchem.8b01467 BindingDB Entry DOI: 10.7270/Q2PR7ZPM | |||||||||||
More data for this Ligand-Target Pair |