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SMILES: CN(Cc1ccccn1)C(=O)[C@H]1[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2[C@H](C(=O)N(C)Cc3ccccn3)C2(C)C)C1(C)C

InChI Key: InChIKey=IHPQBOLXMJUPEF-WIGWXFGNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50064198   
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)		BDBM50064198
PNG
(1N-{1-benzyl-4-[2,2-dimethyl-3-methyl(2-pyridylmet...)
Show SMILES CN(Cc1ccccn1)C(=O)[C@H]1[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2[C@H](C(=O)N(C)Cc3ccccn3)C2(C)C)C1(C)C
Show InChI InChI=1S/C46H56N6O6/c1-45(2)35(37(45)43(57)51(5)27-31-21-13-15-23-47-31)41(55)49-33(25-29-17-9-7-10-18-29)39(53)40(54)34(26-30-19-11-8-12-20-30)50-42(56)36-38(46(36,3)4)44(58)52(6)28-32-22-14-16-24-48-32/h7-24,33-40,53-54H,25-28H2,1-6H3,(H,49,55)(H,50,56)/t33-,34-,35+,36+,37+,38+,39+,40+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 80n/an/an/an/an/an/an/an/a



Frederick Biomedical Supercomputing Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against wild-type HIV-1 protease

J Med Chem 41: 1581-97 (1998)


Article DOI: 10.1021/jm980033d
BindingDB Entry DOI: 10.7270/Q27S7MWG
More data for this
Ligand-Target Pair