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BDBM50439476 CHEMBL2417892

SMILES: COc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1cccc(c1)C(N)=O

InChI Key: InChIKey=XJUHHLPHKIHHLF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50439476   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Coagulation factor VII


(Homo sapiens (Human))
BDBM50439476
PNG
(CHEMBL2417892)
Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O6/c1-27(2,3)14-29-24(33)16-8-9-18(20(13-16)26(35)36)19-10-11-21(37-4)31-22(19)25(34)30-17-7-5-6-15(12-17)23(28)32/h5-13H,14H2,1-4H3,(H2,28,32)(H,29,33)(H,30,34)(H,35,36)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 265n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins


Bioorg Med Chem Lett 23: 5239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.028
BindingDB Entry DOI: 10.7270/Q2CC123C
More data for this
Ligand-Target Pair