BDBM50081564 CHEMBL3422074
SMILES: CN(C)CC(=O)N1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CC1)c1ccccc1
InChI Key: InChIKey=WGEHOPBYUQXTMK-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM50081564 (CHEMBL3422074) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc. Curated by ChEMBL | Assay Description Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind... | J Med Chem 58: 3366-92 (2015) Article DOI: 10.1021/jm501740a BindingDB Entry DOI: 10.7270/Q2Q52RCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50081564 (CHEMBL3422074) | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc. Curated by ChEMBL | Assay Description Inhibition of human CYP3A4 using BFC as substrate preincubated for 10 mins followed by enzyme/substrate addition measured after 30 mins by fluorescen... | J Med Chem 58: 3366-92 (2015) Article DOI: 10.1021/jm501740a BindingDB Entry DOI: 10.7270/Q2Q52RCN | |||||||||||
More data for this Ligand-Target Pair |