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BDBM50164269 (S)-1-(5-Hydroxy-5H-indeno[1,2-b]pyridine-5-carbonyl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide::CHEMBL192268

SMILES: NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ncccc12

InChI Key: InChIKey=VUAPYCRJLHPJMB-CHQVSRGASA-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 = 50164269   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50164269
PNG
((S)-1-(5-Hydroxy-5H-indeno[1,2-b]pyridine-5-carbon...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ncccc12
Show InChI InChI=1S/C26H25ClN4O3/c27-18-10-9-16(14-28)17(13-18)15-30-24(32)22-8-4-12-31(22)25(33)26(34)20-6-2-1-5-19(20)23-21(26)7-3-11-29-23/h1-3,5-7,9-11,13,22,34H,4,8,12,14-15,28H2,(H,30,32)/t22-,26?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.780n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of coagulation factor II (thrombin) of human


J Med Chem 48: 2282-93 (2005)


Article DOI: 10.1021/jm049423s
BindingDB Entry DOI: 10.7270/Q2BR8RPD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50164269
PNG
((S)-1-(5-Hydroxy-5H-indeno[1,2-b]pyridine-5-carbon...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ncccc12
Show InChI InChI=1S/C26H25ClN4O3/c27-18-10-9-16(14-28)17(13-18)15-30-24(32)22-8-4-12-31(22)25(33)26(34)20-6-2-1-5-19(20)23-21(26)7-3-11-29-23/h1-3,5-7,9-11,13,22,34H,4,8,12,14-15,28H2,(H,30,32)/t22-,26?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.780n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of coagulation factor II (thrombin) of human


J Med Chem 48: 2282-93 (2005)


Article DOI: 10.1021/jm049423s
BindingDB Entry DOI: 10.7270/Q2BR8RPD
More data for this
Ligand-Target Pair