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BDBM81680 IDV

SMILES: CC(=N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](C[C@H](O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1

InChI Key: InChIKey=ZZZPCZNJLJHHEX-MCVPMOIPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 81680   
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
HIV-1 protease


(Human immunodeficiency virus)		BDBM81680
PNG
(IDV)
Show SMILES CC(=N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](C[C@H](O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1 |r,w:1.0|
Show InChI InChI=1S/C37H49N5O3/c1-26(39-35-32-15-9-8-14-29(32)21-34(35)44)30(19-27-11-6-5-7-12-27)20-31(43)24-42-18-17-41(23-28-13-10-16-38-22-28)25-33(42)36(45)40-37(2,3)4/h5-16,22,30-31,33-35,43-44H,17-21,23-25H2,1-4H3,(H,40,45)/t30-,31-,33-,34+,35-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.180n/an/an/an/an/an/an/an/a



University of Maryland



Assay Description
Inhibition assay using HIV protease and Sulfonamide compounds.

Chem Biol Drug Des 69: 298-313 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00514.x
BindingDB Entry DOI: 10.7270/Q2TQ6011
More data for this
Ligand-Target Pair