BindingDB logo
myBDB logout

BDBM50295596 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE::5-chloro-N-((3R,5S)-1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)-5-(hydroxymethyl)pyrrolidin-3-yl)thiophene-2-carboxamide::CHEMBL550102

SMILES: OC[C@@H]1C[C@H](CN1CC(=O)Nc1ccc(cc1F)-n1ccccc1=O)NC(=O)c1ccc(Cl)s1

InChI Key: InChIKey=FMLMGXAAZAZCMG-ZBFHGGJFSA-N

Data: 1 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 1 hit for monomerid = 50295596   
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/antithrombin III


(Homo sapiens (human))
BDBM50295596
PNG
(5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[...)
Show SMILES OC[C@@H]1C[C@H](CN1CC(=O)Nc1ccc(cc1F)-n1ccccc1=O)NC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C23H22ClFN4O4S/c24-20-7-6-19(34-20)23(33)26-14-9-16(13-30)28(11-14)12-21(31)27-18-5-4-15(10-17(18)25)29-8-2-1-3-22(29)32/h1-8,10,14,16,30H,9,11-13H2,(H,26,33)(H,27,31)/t14-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

MMDB
PDB
Article
PubMed
95n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)

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