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BDBM50263636 CHEMBL4065096

SMILES: Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccccc1C#N)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=ZBRZBKUQCHNKDM-IBGZPJMESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263636   
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
Rhodesain


(Trypanosoma brucei rhodesiense)		BDBM50263636
PNG
(CHEMBL4065096)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccccc1C#N)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C23H18FN7O2/c24-17-5-7-18(8-6-17)31-27-13-20(30-31)21(32)28-19(22(33)29-23(14-26)9-10-23)11-15-3-1-2-4-16(15)12-25/h1-8,13,19H,9-11H2,(H,28,32)(H,29,33)/t19-/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.40n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method

J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair