BindingDB logo
myBDB logout

BDBM50085386 CHEMBL68737::N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allyl]-4-(1H-imidazol-2-yl)-benzamide

SMILES: NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c1

InChI Key: InChIKey=GLNPWSNDLRNRPS-OWOJBTEDSA-N

Data: 3 KI

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 3 hits for monomerid = 50085386   
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 X


(Homo sapiens (Human))
BDBM50085386
PNG
(CHEMBL68737 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c1
Show InChI InChI=1S/C20H19N5O2/c21-18(22)16-7-8-17(26)15(12-16)2-1-9-25-20(27)14-5-3-13(4-6-14)19-23-10-11-24-19/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,24)(H,25,27)/b2-1+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
128n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


Article DOI: 10.1016/s0960-894x(99)00673-3
BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085386
PNG
(CHEMBL68737 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c1
Show InChI InChI=1S/C20H19N5O2/c21-18(22)16-7-8-17(26)15(12-16)2-1-9-25-20(27)14-5-3-13(4-6-14)19-23-10-11-24-19/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,24)(H,25,27)/b2-1+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


Article DOI: 10.1016/s0960-894x(99)00673-3
BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085386
PNG
(CHEMBL68737 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c1
Show InChI InChI=1S/C20H19N5O2/c21-18(22)16-7-8-17(26)15(12-16)2-1-9-25-20(27)14-5-3-13(4-6-14)19-23-10-11-24-19/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,24)(H,25,27)/b2-1+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


Article DOI: 10.1016/s0960-894x(99)00673-3
BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair