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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM50027125'   
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


(Woolly monkey sarcoma virus)		BDBM50027125
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4C(C)CN(Cc5ccc(cc5)C#N)CC4C)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:43,t:3,45|
Show InChI InChI=1S/C52H65N5O11/c1-27-13-12-14-28(2)51(64)55-43-38(23-54-57-29(3)24-56(25-30(57)4)26-37-17-15-36(22-53)16-18-37)21-39-41(47(43)62)46(61)34(8)49-42(39)50(63)52(10,68-49)66-20-19-40(65-11)31(5)48(67-35(9)58)33(7)45(60)32(6)44(27)59/h12-21,23,27,29-33,40,44-45,48,59-62H,24-26H2,1-11H3,(H,55,64)/b13-12+,20-19+,28-14-,54-23+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase

J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair