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BDBM50478908 CHEMBL509838::KNI-10672

SMILES: CC(C)CCNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1)C(C)(C)C

InChI Key: InChIKey=YVDGGTCQEHWYPP-VNKMSTJFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50478908   
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
Protease


(Human T-cell leukemia virus type I)		BDBM50478908
PNG
(CHEMBL509838 | KNI-10672)
Show SMILES CC(C)CCNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C40H59N5O6S/c1-25(2)20-21-41-37(50)34-40(8,9)52-24-45(34)38(51)32(47)29(23-27-16-12-10-13-17-27)42-36(49)33(39(5,6)7)44-35(48)31(28-18-14-11-15-19-28)43-30(46)22-26(3)4/h10-19,25-26,29,31-34,47H,20-24H2,1-9H3,(H,41,50)(H,42,49)(H,43,46)(H,44,48)/t29-,31-,32-,33+,34+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 107n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant

Bioorg Med Chem 16: 6880-90 (2008)


Article DOI: 10.1016/j.bmc.2008.05.052
BindingDB Entry DOI: 10.7270/Q25B059Q
More data for this
Ligand-Target Pair