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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50160861'   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50160861
PNG
(CHEMBL414976 | Fullerene Derivative)
Show SMILES C[N+]1(C)C[C@@]23[C@@H]4[C@@H]5c6c7-c8c5c5c9c%10c%11c%12[C@H]%13[C@H]%14c%15c%16C%17=C%18[C@H]%19[C@@H]%20C(C%21=C2[C@H]2[C@H]%22c(c%21c%16%20)c%15-c%12c%22c%10c5=C42)=C2c4c%19c5c%18c%10c%12c%15c(c%13c%11c%11c%15c(c8c9%11)c8c7c(c4c6[C@]32C1)c5c%128)[C@]%101C[N+](C)(C)C[C@]%14%171 |wU:69.100,63.92,59.83,27.28,17.18,16.61,wD:4.27,22.22,5.47,23.24,28.41,6.10,c:21,26,46,49,(-6.34,1.46,;-5.6,.71,;-6.13,-.2,;-5.05,1.81,;-3.77,1.72,;-4.35,.86,;-4.38,-.91,;-3.85,-1.82,;-2.98,-3.27,;-3,-3.26,;-3.85,-1.81,;-3.31,-.9,;-1.9,-1.47,;-1.01,-.05,;.77,-.07,;1.68,1.38,;3.3,.76,;3.94,1.7,;2.84,3.1,;2.84,2.99,;3.72,1.53,;3.26,.66,;1.89,1.28,;.92,2.86,;-.95,2.76,;-1.43,3.61,;-2.94,3.19,;-3.13,3.36,;-1.56,3.93,;-.02,4.25,;.01,4.14,;1.48,3.63,;1.34,3.61,;.77,2.77,;-1,2.83,;-1.89,1.38,;-3.31,.86,;-3.92,1.75,;-1.81,1.27,;-.96,-.16,;.82,-.23,;1.68,-1.63,;3.11,-1.11,;3.64,-1.98,;2.76,-3.38,;2.75,-3.38,;3.66,-1.97,;3.18,-1.11,;1.66,-1.54,;.74,-2.95,;1.28,-3.88,;-.14,-4.4,;-1.57,-3.83,;-1.01,-2.94,;-.13,-4.42,;-1.55,-3.86,;-.98,-3.02,;-1.85,-1.57,;-3.26,-.98,;-3.23,.76,;-4.53,-.12,;.79,-3.03,;1.3,-3.91,;4.23,-1.12,;5.23,-1.39,;6.22,-.29,;7.27,.76,;7.27,-1.34,;5.34,.92,;4.34,.63,)|
Show InChI InChI=1S/C68H28N2/c1-69(2)5-65-57-41-25-13-11-9-10-12-14-16-21-31-19(12)29(17(9)25)45(57)47(31)59-49-33(21)24-28(16)44-42-26(14)18(10)30-20(11)32-22-15(13)27-23-34(22)50-54-38-35(23)51(61(65)43(27)41)55-39(38)40-37(53(49)63(55)67(59,65)7-69)36(24)52-56(40)64(54)68-8-70(3,4)6-66(68,62(44)52)58(42)46(30)48(32)60(50)68/h27,39-40,43,45,48,57,60H,5-8H2,1-4H3/q+2/t27-,39-,40-,43+,45+,48-,57+,60+,65-,66-,67+,68+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Kyoritsu University of Pharmacy

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-Reverse transcriptase


Bioorg Med Chem Lett 15: 1107-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.030
BindingDB Entry DOI: 10.7270/Q29C6WZS
More data for this
Ligand-Target Pair