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BDBM50189937 (S)-N-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-2'-hydroxy-biphenyl-3-ylmethyl]-2-hydroxy-3-phenyl-propionamide::CHEMBL212401

SMILES: Nc1nccc2[nH]c(cc12)-c1cccc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O

InChI Key: InChIKey=DNGUAOFFZUMTKG-SANMLTNESA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50189937   
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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50189937
PNG
((S)-N-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-...)
Show SMILES Nc1nccc2[nH]c(cc12)-c1cccc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O
Show InChI InChI=1S/C29H26N4O3/c30-28-23-16-25(33-24(23)12-13-31-28)22-11-5-10-21(27(22)35)20-9-4-8-19(14-20)17-32-29(36)26(34)15-18-6-2-1-3-7-18/h1-14,16,26,33-35H,15,17H2,(H2,30,31)(H,32,36)/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
81n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to f7a/TF complex


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50189937
PNG
((S)-N-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-...)
Show SMILES Nc1nccc2[nH]c(cc12)-c1cccc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O
Show InChI InChI=1S/C29H26N4O3/c30-28-23-16-25(33-24(23)12-13-31-28)22-11-5-10-21(27(22)35)20-9-4-8-19(14-20)17-32-29(36)26(34)15-18-6-2-1-3-7-18/h1-14,16,26,33-35H,15,17H2,(H2,30,31)(H,32,36)/t26-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40E+4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to f10a


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50189937
PNG
((S)-N-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-...)
Show SMILES Nc1nccc2[nH]c(cc12)-c1cccc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O
Show InChI InChI=1S/C29H26N4O3/c30-28-23-16-25(33-24(23)12-13-31-28)22-11-5-10-21(27(22)35)20-9-4-8-19(14-20)17-32-29(36)26(34)15-18-6-2-1-3-7-18/h1-14,16,26,33-35H,15,17H2,(H2,30,31)(H,32,36)/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.90E+4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair