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BDBM50484735 CHEMBL1957068

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccc(OC)c(C)c1)NC(=O)O[C@H]1CCOC1

InChI Key: InChIKey=OAIWAGBCECSILT-RUHGTMQNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484735   
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 immunodeficiency virus 1 (HIV-1))		BDBM50484735
PNG
(CHEMBL1957068)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccc(OC)c(C)c1)NC(=O)O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C34H44N2O8S/c1-23(2)20-36(45(39,40)30-13-11-28(41-4)12-14-30)21-32(37)31(35-34(38)44-29-16-17-43-22-29)19-25-6-8-26(9-7-25)27-10-15-33(42-5)24(3)18-27/h6-15,18,23,29,31-32,37H,16-17,19-22H2,1-5H3,(H,35,38)/t29-,31-,32+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis

Bioorg Med Chem Lett 22: 1976-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.037
BindingDB Entry DOI: 10.7270/Q2V69ND3
More data for this
Ligand-Target Pair