BDBM50167833 3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimidoyl-2-[(pyridin-4-yl)carbamoyl]phenyl}methyl)carbamoyl]methyl}-6-oxo-5-(propan-2-ylamino)-1,6-dihydropyrazin-2-yl)benzamide::5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE::CHEMBL372240
SMILES: CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)Nc1ccncc1)C(N)=N
InChI Key: InChIKey=HLQIVSDFLBJBKY-HXUWFJFHSA-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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Coagulation factor VII (Homo sapiens (Human)) | BDBM50167833 (3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Corp. Curated by ChEMBL | Assay Description Inhibitory concentration against Coagulation factor VIIa | Bioorg Med Chem Lett 15: 3006-11 (2005) Article DOI: 10.1016/j.bmcl.2005.04.037 BindingDB Entry DOI: 10.7270/Q2SB459T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |