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SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)CSCC1CCN2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[NH+]=C2N1)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC

InChI Key: InChIKey=ZRKCOJNPTCBSCW-FJAVLJJCSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135846   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50135846
PNG
(Bicyclic Guanidinium Subunit | CHEMBL428283)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)CSCC1CCN2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[NH+]=C2N1)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |c:43|
Show InChI InChI=1S/C72H96N10O12SSi/c1-9-49(4)65(81-63(84)41-74-64(85)47-95-46-54-35-37-82-36-34-53(75-71(82)76-54)44-94-96(72(5,6)7,56-26-18-12-19-27-56)57-28-20-13-21-29-57)69(89)80-61(45-92-42-51-22-14-10-15-23-51)68(88)77-58(39-50-30-32-55(33-31-50)93-43-52-24-16-11-17-25-52)66(86)78-59(40-62(73)83)67(87)79-60(38-48(2)3)70(90)91-8/h10-33,48-49,53-54,58-61,65H,9,34-47H2,1-8H3,(H2,73,83)(H,74,85)(H,75,76)(H,77,88)(H,78,86)(H,79,87)(H,80,89)(H,81,84)/p+1/t49-,53?,54?,58-,59-,60-,61-,65-/m0/s1
PDB
MMDB

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DrugBank
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Universidad Aut£noma de Madrid

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 Protease

J Med Chem 46: 5196-207 (2003)


Article DOI: 10.1021/jm030871u
BindingDB Entry DOI: 10.7270/Q2C53MKZ
More data for this
Ligand-Target Pair