BindingDB logo
myBDB logout

BDBM13575 N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-dimethoxyphenyl)acetamide::phenylglycine amide compound 1

SMILES: COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1

InChI Key: InChIKey=BMQMRSICTKGCCO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 13575   
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 VII


(Homo sapiens (human))
BDBM13575
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
350 -8.71n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 817-22 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prothrombin


(Homo sapiens (Human))
BDBM13575
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
460 -8.55n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 817-22 (2005)

More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13575
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 817-22 (2005)

More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13575
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 817-22 (2005)

More data for this
Ligand-Target Pair