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BDBM50484743 CHEMBL1957074

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccncc1)NC(=O)O[C@H]1CCOC1

InChI Key: InChIKey=NDNYFIDAEMXMHA-LOAGWBBBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484743   
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))		BDBM50484743
PNG
(CHEMBL1957074)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccncc1)NC(=O)O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C31H39N3O7S/c1-22(2)19-34(42(37,38)28-10-8-26(39-3)9-11-28)20-30(35)29(33-31(36)41-27-14-17-40-21-27)18-23-4-6-24(7-5-23)25-12-15-32-16-13-25/h4-13,15-16,22,27,29-30,35H,14,17-21H2,1-3H3,(H,33,36)/t27-,29-,30+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 3.80n/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