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BDBM50098600 CHEMBL3594315

SMILES: CC(C)S(=O)(=O)c1ccc(NC(C)=O)cc1[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(N)nccc2c1)c1ccccc1

InChI Key: InChIKey=KDJVHAKXSVDSAV-PQHLKRTFSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50098600   
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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50098600
PNG
(CHEMBL3594315)
Show SMILES CC(C)S(=O)(=O)c1ccc(NC(C)=O)cc1[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(N)nccc2c1)c1ccccc1
Show InChI InChI=1S/C32H35N5O4S/c1-20(2)42(40,41)29-14-12-25(35-21(3)38)19-27(29)28-10-7-17-37(28)32(39)30(22-8-5-4-6-9-22)36-24-11-13-26-23(18-24)15-16-34-31(26)33/h4-6,8-9,11-16,18-20,28,30,36H,7,10,17H2,1-3H3,(H2,33,34)(H,35,38)/t28-,30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TF/F7a complex using S2288 as substrate preincubated for 15 mins followed by protein addition measured for 60 mins


J Med Chem 58: 6225-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00788
BindingDB Entry DOI: 10.7270/Q2DN46TN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)