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SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CSCC1CCN2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[NH+]=C2N1)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC

InChI Key: InChIKey=ABFIJBVNJFZWBJ-VSQJRRPMSA-O

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50135847   
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)
BDBM50135847
PNG
(Bicyclic Guanidinium Subunit | CHEMBL404936)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CSCC1CCN2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[NH+]=C2N1)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC |c:44|
Show InChI InChI=1S/C65H89N9O9SSi/c1-11-43(4)57(61(78)73-58(45(6)82-38-46-23-15-12-16-24-46)62(79)70-54(35-42(2)3)60(77)71-55(63(80)81-10)36-47-37-66-53-30-22-21-29-52(47)53)72-59(76)44(5)67-56(75)41-84-40-49-32-34-74-33-31-48(68-64(74)69-49)39-83-85(65(7,8)9,50-25-17-13-18-26-50)51-27-19-14-20-28-51/h12-30,37,42-45,48-49,54-55,57-58,66H,11,31-36,38-41H2,1-10H3,(H,67,75)(H,68,69)(H,70,79)(H,71,77)(H,72,76)(H,73,78)/p+1/t43-,44-,45+,48?,49?,54-,55-,57-,58-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.00E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma de Madrid

Curated by ChEMBL


Assay Description
Competitive inhibition 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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50135847
PNG
(Bicyclic Guanidinium Subunit | CHEMBL404936)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CSCC1CCN2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[NH+]=C2N1)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC |c:44|
Show InChI InChI=1S/C65H89N9O9SSi/c1-11-43(4)57(61(78)73-58(45(6)82-38-46-23-15-12-16-24-46)62(79)70-54(35-42(2)3)60(77)71-55(63(80)81-10)36-47-37-66-53-30-22-21-29-52(47)53)72-59(76)44(5)67-56(75)41-84-40-49-32-34-74-33-31-48(68-64(74)69-49)39-83-85(65(7,8)9,50-25-17-13-18-26-50)51-27-19-14-20-28-51/h12-30,37,42-45,48-49,54-55,57-58,66H,11,31-36,38-41H2,1-10H3,(H,67,75)(H,68,69)(H,70,79)(H,71,77)(H,72,76)(H,73,78)/p+1/t43-,44-,45+,48?,49?,54-,55-,57-,58-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+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