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BDBM50066472 ((S)-1-{(1S,2S)-1-Benzyl-2-hydroxy-3-[N'-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-N-(4-pyridin-2-yl-benzyl)-hydrazino]-propylcarbamoyl}-2-methyl-butyl)-carbamic acid methyl ester::CHEMBL116229

SMILES: CCC(C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key: InChIKey=ZPFNZGWXQXTLGI-MPJDEDBMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50066472   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50066472
PNG
(((S)-1-{(1S,2S)-1-Benzyl-2-hydroxy-3-[N'-((S)-2-me...)
Show SMILES CCC(C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C37H50N6O7/c1-7-25(4)33(41-37(48)50-6)34(45)39-30(21-26-13-9-8-10-14-26)31(44)23-43(42-35(46)32(24(2)3)40-36(47)49-5)22-27-16-18-28(19-17-27)29-15-11-12-20-38-29/h8-20,24-25,30-33,44H,7,21-23H2,1-6H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)/t25?,30-,31-,32-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.

J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair