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BDBM50193222 2-{[(1R)-1-[(2-{[(4-carbamimidoylphenyl)methyl]carbamoyl}-2,3-dihydro-1H-inden-2-yl)carbamoyl]propyl]amino}acetic acid::CHEMBL212971

SMILES: CC[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=KAPKZRFHRNMZAJ-LJQANCHMSA-N

Data: 2 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 = 50193222   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193222
PNG
(2-{[(1R)-1-[(2-{[(4-carbamimidoylphenyl)methyl]car...)
Show SMILES CC[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H29N5O4/c1-2-19(27-14-20(30)31)22(32)29-24(11-17-5-3-4-6-18(17)12-24)23(33)28-13-15-7-9-16(10-8-15)21(25)26/h3-10,19,27H,2,11-14H2,1H3,(H3,25,26)(H,28,33)(H,29,32)(H,30,31)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+5n/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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193222
PNG
(2-{[(1R)-1-[(2-{[(4-carbamimidoylphenyl)methyl]car...)
Show SMILES CC[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H29N5O4/c1-2-19(27-14-20(30)31)22(32)29-24(11-17-5-3-4-6-18(17)12-24)23(33)28-13-15-7-9-16(10-8-15)21(25)26/h3-10,19,27H,2,11-14H2,1H3,(H3,25,26)(H,28,33)(H,29,32)(H,30,31)/t19-/m1/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 2.04E+3n/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