BDBM164620 US9688624, Compound 2
SMILES: COc1ccc(CC([O-])=O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C
InChI Key: InChIKey=SDHFXINHZHARIB-UHFFFAOYSA-M
Data: 6 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM164620 (US9688624, Compound 2) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
NMMLSC US Patent | Assay Description Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004... | US Patent US9688624 (2017) BindingDB Entry DOI: 10.7270/Q2416V6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM164620 (US9688624, Compound 2) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
NMMLSC US Patent | Assay Description Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004... | US Patent US9688624 (2017) BindingDB Entry DOI: 10.7270/Q2416V6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM164620 (US9688624, Compound 2) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
NMMLSC US Patent | Assay Description Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004... | US Patent US9688624 (2017) BindingDB Entry DOI: 10.7270/Q2416V6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM164620 (US9688624, Compound 2) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
NMMLSC US Patent | Assay Description Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004... | US Patent US9688624 (2017) BindingDB Entry DOI: 10.7270/Q2416V6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM164620 (US9688624, Compound 2) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
NMMLSC US Patent | Assay Description Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004... | US Patent US9688624 (2017) BindingDB Entry DOI: 10.7270/Q2416V6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM164620 (US9688624, Compound 2) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
NMMLSC US Patent | Assay Description Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004... | US Patent US9688624 (2017) BindingDB Entry DOI: 10.7270/Q2416V6H | |||||||||||
More data for this Ligand-Target Pair |