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BDBM50447528 CHEMBL3115904

SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=WDJIHZCWTLEDHQ-VQTJNVASSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50447528   
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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50447528
PNG
(CHEMBL3115904)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C25H40N8O4/c26-22(27)18-10-8-17(9-11-18)14-32-23(36)19(7-4-12-30-25(28)29)33-24(37)20(31-15-21(34)35)13-16-5-2-1-3-6-16/h8-11,16,19-20,31H,1-7,12-15H2,(H3,26,27)(H,32,36)(H,33,37)(H,34,35)(H4,28,29,30)/t19-,20+/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of human APC using S-2366 as substrate


Bioorg Med Chem Lett 24: 821-7 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.094
BindingDB Entry DOI: 10.7270/Q2542Q3B
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50447528
PNG
(CHEMBL3115904)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C25H40N8O4/c26-22(27)18-10-8-17(9-11-18)14-32-23(36)19(7-4-12-30-25(28)29)33-24(37)20(31-15-21(34)35)13-16-5-2-1-3-6-16/h8-11,16,19-20,31H,1-7,12-15H2,(H3,26,27)(H,32,36)(H,33,37)(H,34,35)(H4,28,29,30)/t19-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.094
BindingDB Entry DOI: 10.7270/Q2542Q3B
More data for this
Ligand-Target Pair