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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50160858   
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
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50160858
PNG
(CHEMBL384970 | Fullerene Derivative)
Show SMILES C[N+]1(C)C[C@]23[C@H]4[C@@H]5C6=C7c8c4c4C2=C2[C@H]9[C@H]%10c4c-4c8[C@@H]8[C@@H]%11c%12c-4c%10c4c%10c9c9c2c2c%13c%14c(c5c5c6c6c%15c%16c(c%11c%11c%12c4c4c%10c%10c9c%13c9c%12c%14c5c%15c%12c5c%16c%11c4c5c%109)[C@]64C[N+](C)(C)C[C@@]784)[C@@]32C1 |wU:67.94,19.22,14.15,20.50,wD:4.13,6.6,68.99,61.86,5.10,15.28,c:7,t:14,(-4.73,2.21,;-3.99,2.94,;-4.27,3.96,;-2.71,3.74,;-1.44,2.42,;.39,2.73,;1.52,1.26,;2.96,.81,;3.34,1.72,;2.33,3.05,;.89,3.55,;-.61,3.89,;-1.99,3.21,;-3.43,2.65,;-3.6,2.78,;-2.09,3.53,;-.61,4.01,;.81,3.53,;2.34,3.18,;3.6,1.9,;3.09,.92,;1.42,1.35,;.37,2.62,;-1.4,2.49,;-2.13,.95,;-3.48,.28,;-4.21,1.1,;-4.56,.17,;-4.1,1.07,;-3.48,.2,;-3.33,-1.54,;-1.89,-1.97,;-1.16,-.48,;.61,-.36,;1.63,-1.65,;3.01,-.97,;3.65,-1.78,;2.93,-3.28,;2.95,-3.27,;3.71,-1.77,;3.17,-.95,;1.72,-1.54,;.69,-.18,;-1.08,-.38,;-1.81,-1.88,;-3.29,-1.46,;-3.76,-2.42,;-4.38,-1.6,;-3.8,-2.45,;-2.78,-3.78,;-1.3,-4.21,;-.85,-3.31,;.91,-3.15,;1.53,-3.95,;.18,-4.61,;.2,-4.6,;1.56,-3.92,;.96,-3.06,;-.79,-3.23,;-1.27,-4.17,;-2.76,-3.77,;4.16,-.86,;5.06,-1.37,;6.23,-.06,;6.99,-.8,;6.97,.68,;5.09,1.19,;4.09,.89,;-2.14,.84,;-3.45,1.35,)|
Show InChI InChI=1S/C68H26N2/c1-69(2)5-65-57-41-30-19-12-13-17-10-9-14-11-15(10)26-35-24(17)31-20(13)22-21(19)32-29-33(22)44-42(31)58-46(35)48-37(26)28-18(11)27-36-25(14)34(23(30)16(9)12)45(57)47(36)59-49-38(27)39(28)50-54-53(49)63(67(59,65)7-69)55-51(61(65)43(32)41)40(29)52-56(55)64(54)68(60(48)50)8-70(3,4)6-66(58,68)62(44)52/h27,36,48,55,60,63H,5-8H2,1-4H3/q+2/t27-,36+,48+,55-,60-,63+,65-,66+,67+,68-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Kyoritsu University of Pharmacy

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hepatitis C virus-RNA-dependent RNA polymerase


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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50160858
PNG
(CHEMBL384970 | Fullerene Derivative)
Show SMILES C[N+]1(C)C[C@]23[C@H]4[C@@H]5C6=C7c8c4c4C2=C2[C@H]9[C@H]%10c4c-4c8[C@@H]8[C@@H]%11c%12c-4c%10c4c%10c9c9c2c2c%13c%14c(c5c5c6c6c%15c%16c(c%11c%11c%12c4c4c%10c%10c9c%13c9c%12c%14c5c%15c%12c5c%16c%11c4c5c%109)[C@]64C[N+](C)(C)C[C@@]784)[C@@]32C1 |wU:67.94,19.22,14.15,20.50,wD:4.13,6.6,68.99,61.86,5.10,15.28,c:7,t:14,(-4.73,2.21,;-3.99,2.94,;-4.27,3.96,;-2.71,3.74,;-1.44,2.42,;.39,2.73,;1.52,1.26,;2.96,.81,;3.34,1.72,;2.33,3.05,;.89,3.55,;-.61,3.89,;-1.99,3.21,;-3.43,2.65,;-3.6,2.78,;-2.09,3.53,;-.61,4.01,;.81,3.53,;2.34,3.18,;3.6,1.9,;3.09,.92,;1.42,1.35,;.37,2.62,;-1.4,2.49,;-2.13,.95,;-3.48,.28,;-4.21,1.1,;-4.56,.17,;-4.1,1.07,;-3.48,.2,;-3.33,-1.54,;-1.89,-1.97,;-1.16,-.48,;.61,-.36,;1.63,-1.65,;3.01,-.97,;3.65,-1.78,;2.93,-3.28,;2.95,-3.27,;3.71,-1.77,;3.17,-.95,;1.72,-1.54,;.69,-.18,;-1.08,-.38,;-1.81,-1.88,;-3.29,-1.46,;-3.76,-2.42,;-4.38,-1.6,;-3.8,-2.45,;-2.78,-3.78,;-1.3,-4.21,;-.85,-3.31,;.91,-3.15,;1.53,-3.95,;.18,-4.61,;.2,-4.6,;1.56,-3.92,;.96,-3.06,;-.79,-3.23,;-1.27,-4.17,;-2.76,-3.77,;4.16,-.86,;5.06,-1.37,;6.23,-.06,;6.99,-.8,;6.97,.68,;5.09,1.19,;4.09,.89,;-2.14,.84,;-3.45,1.35,)|
Show InChI InChI=1S/C68H26N2/c1-69(2)5-65-57-41-30-19-12-13-17-10-9-14-11-15(10)26-35-24(17)31-20(13)22-21(19)32-29-33(22)44-42(31)58-46(35)48-37(26)28-18(11)27-36-25(14)34(23(30)16(9)12)45(57)47(36)59-49-38(27)39(28)50-54-53(49)63(67(59,65)7-69)55-51(61(65)43(32)41)40(29)52-56(55)64(54)68(60(48)50)8-70(3,4)6-66(58,68)62(44)52/h27,36,48,55,60,63H,5-8H2,1-4H3/q+2/t27-,36+,48+,55-,60-,63+,65-,66+,67+,68-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.70E+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