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BDBM50097778 3-Carbamimidoyl-N-[(R)-phenyl-(3-phenyl-propylcarbamoyl)-methyl]-benzamide::CHEMBL163586

SMILES: NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)NCCCc1ccccc1)c1ccccc1

InChI Key: InChIKey=VMXRENPUUIMQCX-JOCHJYFZSA-N

Data: 2 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 2 hits for monomerid = 50097778   
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))
BDBM50097778
PNG
(3-Carbamimidoyl-N-[(R)-phenyl-(3-phenyl-propylcarb...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)NCCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N4O2/c26-23(27)20-14-7-15-21(17-20)24(30)29-22(19-12-5-2-6-13-19)25(31)28-16-8-11-18-9-3-1-4-10-18/h1-7,9-10,12-15,17,22H,8,11,16H2,(H3,26,27)(H,28,31)(H,29,30)/t22-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
145n/an/an/an/an/an/an/an/a



Prosthetics Molecular Design

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor Xa


Bioorg Med Chem Lett 11: 733-6 (2001)


BindingDB Entry DOI: 10.7270/Q2M32V0B
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50097778
PNG
(3-Carbamimidoyl-N-[(R)-phenyl-(3-phenyl-propylcarb...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)NCCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N4O2/c26-23(27)20-14-7-15-21(17-20)24(30)29-22(19-12-5-2-6-13-19)25(31)28-16-8-11-18-9-3-1-4-10-18/h1-7,9-10,12-15,17,22H,8,11,16H2,(H3,26,27)(H,28,31)(H,29,30)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Prosthetics Molecular Design

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin


Bioorg Med Chem Lett 11: 733-6 (2001)


BindingDB Entry DOI: 10.7270/Q2M32V0B
More data for this
Ligand-Target Pair