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BDBM50098242 3-[4-(Amino-hydrazino-methyl)-phenyl]-N-cyclopentyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-benzocycloheptene-2-sulfonylamino)-propionamide::CHEMBL9582

SMILES: CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)NN)NS(=O)(=O)c1ccc2CCCCCc2c1

InChI Key: InChIKey=AXMQONLDXIGLCG-PMCHYTPCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50098242   
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))		BDBM50098242
PNG
(3-[4-(Amino-hydrazino-methyl)-phenyl]-N-cyclopenty...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)NN)NS(=O)(=O)c1ccc2CCCCCc2c1
Show InChI InChI=1S/C27H39N5O3S/c1-32(23-9-5-6-10-23)27(33)25(17-19-11-13-21(14-12-19)26(28)30-29)31-36(34,35)24-16-15-20-7-3-2-4-8-22(20)18-24/h11-16,18,23,25-26,30-31H,2-10,17,28-29H2,1H3/t25-,26?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.0450n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity was determined against human thrombin

J Med Chem 44: 1043-50 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6S86
More data for this
Ligand-Target Pair