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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 protease' and Ligand = 'BDBM40773'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
HIV-1 protease


(Human immunodeficiency virus)		BDBM40773
PNG
(Silanediol, 17b)
Show SMILES OC1Cc2ccccc2C1NC(=O)[C@H](Cc1ccccc1)C[Si](O)(O)C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H42N2O6Si/c41-33-21-27-15-7-9-17-31(27)35(33)39-37(43)29(19-25-11-3-1-4-12-25)23-47(45,46)24-30(20-26-13-5-2-6-14-26)38(44)40-36-32-18-10-8-16-28(32)22-34(36)42/h1-18,29-30,33-36,41-42,45-46H,19-24H2,(H,39,43)(H,40,44)/t29-,30-,33?,34?,35?,36?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.70n/an/an/an/an/an/an/an/a



State University of New York



Assay Description
Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.

Chem Biol 8: 1161-6 (2001)


Article DOI: 10.1016/S1074-5521(01)00079-5
BindingDB Entry DOI: 10.7270/Q20V8B63
More data for this
Ligand-Target Pair