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BDBM50193224 ((R)-1-{[(S)-(4-carbamimidoyl-benzylcarbamoyl)-indan-2-yl-methyl]-carbamoyl}-2-methyl-propylamino)-aceticacid::CHEMBL425613

SMILES: CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=LVMBVJXKKILQII-PKTZIBPZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50193224   
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))
BDBM50193224
PNG
(((R)-1-{[(S)-(4-carbamimidoyl-benzylcarbamoyl)-ind...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H33N5O4/c1-15(2)22(29-14-21(32)33)26(35)31-23(20-11-18-5-3-4-6-19(18)12-20)25(34)30-13-16-7-9-17(10-8-16)24(27)28/h3-10,15,20,22-23,29H,11-14H2,1-2H3,(H3,27,28)(H,30,34)(H,31,35)(H,32,33)/t22-,23+/m1/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50193224
PNG
(((R)-1-{[(S)-(4-carbamimidoyl-benzylcarbamoyl)-ind...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H33N5O4/c1-15(2)22(29-14-21(32)33)26(35)31-23(20-11-18-5-3-4-6-19(18)12-20)25(34)30-13-16-7-9-17(10-8-16)24(27)28/h3-10,15,20,22-23,29H,11-14H2,1-2H3,(H3,27,28)(H,30,34)(H,31,35)(H,32,33)/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair