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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50091593'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50091593
PNG
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)
Show SMILES Cc1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)cn1
Show InChI InChI=1S/C37H49N5O4/c1-25-14-15-27(21-38-25)22-41-16-17-42(32(24-41)36(46)40-37(2,3)4)23-30(43)19-29(18-26-10-6-5-7-11-26)35(45)39-34-31-13-9-8-12-28(31)20-33(34)44/h5-15,21,29-30,32-34,43-44H,16-20,22-24H2,1-4H3,(H,39,45)(H,40,46)/t29-,30+,32+,33-,34?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.620n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in vitro.

J Med Chem 43: 3386-99 (2000)


BindingDB Entry DOI: 10.7270/Q23J3DP4
More data for this
Ligand-Target Pair