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BDBM50392032 CHEMBL2152432

SMILES: NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NCCc2ccccc2)cc1

InChI Key: InChIKey=QOFAEGAWTHNSSP-SVBPBHIXSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50392032   
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
Prothrombin


(Homo sapiens (Human))		BDBM50392032
PNG
(CHEMBL2152432)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C30H35N5O2/c31-28(32)25-15-13-24(14-16-25)21-34-29(36)27-12-7-19-35(27)30(37)26(20-23-10-5-2-6-11-23)33-18-17-22-8-3-1-4-9-22/h1-6,8-11,13-16,26-27,33H,7,12,17-21H2,(H3,31,32)(H,34,36)/t26-,27-/m0/s1
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Similars
Article
PubMed
n/an/an/a 232n/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by isothermal titration calorimetry

J Med Chem 55: 6094-110 (2012)


Article DOI: 10.1021/jm300337q
BindingDB Entry DOI: 10.7270/Q2930V7X
More data for this
Ligand-Target Pair