BDBM50197614 CHEMBL3939323::US10322140, Example 12
SMILES: [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)c1cc[nH]n1
InChI Key: InChIKey=COFTTWHUUNTFAS-UTRDWCOLSA-N
Data: 4 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)) | BDBM50197614 (CHEMBL3939323 | US10322140, Example 12) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 10 mins in presence of NADP by rapidfire/MS analysis | ACS Med Chem Lett 7: 881-883 (2016) Article DOI: 10.1021/acsmedchemlett.6b00327 BindingDB Entry DOI: 10.7270/Q2GQ70RQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50197614 (CHEMBL3939323 | US10322140, Example 12) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca | Assay Description Compound dilutions and assay-ready plates were prepared on a TTP Labtech mosquito HTS. Assay conduction was fully automated on a customized Screening... | Bioorg Med Chem Lett 19: 4280-3 (2009) BindingDB Entry DOI: 10.7270/Q2G44SMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50197614 (CHEMBL3939323 | US10322140, Example 12) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca | Assay Description Frozen HEK 293 Cells were plated in 384-well PDL coated plates at 12000 cells/well in 50 uL of DMEM media containing 10% FBS, pen/strep/L-Glutamine a... | Bioorg Med Chem Lett 19: 4280-3 (2009) BindingDB Entry DOI: 10.7270/Q2G44SMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50197614 (CHEMBL3939323 | US10322140, Example 12) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL | Assay Description Antagonist activity at PAR-1 in HEK293 cells incubated for 30 mins followed by Ala-parafluoroPhe-Arg-Cha-Cit-Try-NH2 substrate addition by calcium-5 ... | ACS Med Chem Lett 7: 881-883 (2016) Article DOI: 10.1021/acsmedchemlett.6b00327 BindingDB Entry DOI: 10.7270/Q2GQ70RQ | |||||||||||
More data for this Ligand-Target Pair |