Found 16 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50160865
(CHEMBL2373969 | Fullerene Derivative)Show SMILES [H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c%19c%18c%18c%16c%16c%15c%15c%13[C@]%13([H])c%20c%21c%22c(c8[C@@]%218[C@@H]([C@@H](CC(O)=C)[C@@H](C(O)=O)[C@]98[C@]%13([H])c%10%12)C(O)=O)c8c7c(c7c8c8c%22c(c%15%20)c%16c8c%18c%197)c54)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H] |c:2,t:8| Show InChI InChI=1S/C68H18O5/c1-3(69)2-4-59(65(70)71)67-61-51-43-33-23-15-7-5-6-9-13-11(7)19-27-21(13)31-25-17(9)18-10(6)14-12-8(5)16(15)24-30-20(12)28-22(14)32-26(18)36-35(25)45-39(31)49-41(27)47(37(43)29(19)23)55(61)57(49)63-53(45)54-46(36)40(32)50-42(28)48-38(30)44(34(24)33)52(51)62(67)56(48)58(50)64(54)68(63,67)60(4)66(72)73/h4,15-16,23-24,37,47,56,59-60,62H,2H2,1H3,(H,70,71)(H,72,73)/t4-,15+,16-,23-,24+,37+,47-,56+,59-,60-,62+,67+,68-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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 | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50160863
(1-Butyl-3-(1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[...)Show SMILES CCCCn1c2ccccc2c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c1=O |t:15| Show InChI InChI=1S/C20H19N3O4S/c1-2-3-12-23-15-10-6-4-8-13(15)18(24)17(20(23)25)19-21-14-9-5-7-11-16(14)28(26,27)22-19/h4-11,24H,2-3,12H2,1H3,(H,21,22) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/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 | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50160861
(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
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/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 | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50160860
(CHEMBL2373427 | Fullerene Derivative)Show SMILES [I-].[I-].[H][C@@]12C3=c4c5c6c7c8C(=C9c%10c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c5c5c7c7c%19c8[C@]8%20C[N+](C)(C)C[C@]98[C@@]%11([H])[C@]8([H])c%13c9c%11c8c%20c%19c8c%11c%11c(c%159)c%16c9c%18c4c4c9c%11c8c7c54)[C@@]45C[N+](C)(C)C[C@@]34c(c1%10)c%12[C@]%14([H])[C@@]%175[H])[C@@]26[H] |c:2,t:8| Show InChI InChI=1S/C68H26N2/c1-69(2)5-65-57-41-29-17-9-10-14-11-15-23-31(19(11)17)43(41)59(65)49-37(23)28-36-26(15)34-22(14)30-18(10)20-12-13(9)21(29)33-25-16(12)24-32(20)44-42(30)58-46(34)48(36)62-54-39(28)51(49)63-55-53-40-27(35(25)47(45(33)57)61(53)67(63,65)7-69)38(24)50-52(40)64(56(54)55)68(62)8-70(3,4)6-66(58,68)60(44)50/h39,47,50,54,60-61H,5-8H2,1-4H3/q+2/t39-,47+,50?,54-,60+,61-,65+,66?,67-,68-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/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 | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50160858
(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/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50160864
(CHEMBL2373970 | Fullerene Derivative)Show SMILES [H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c5c5c7c7c%19c8[C@]8%20[C@@H](N(CC(O)=O)C[C@]98[C@]([H])(c%10%12)[C@]8([H])c%13c9c%10c8c%20c%19c8c%10c%10c(c%159)c%16c9c%18c4c4c9c%10c8c7c54)C(O)=O)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H] |c:2,t:8| Show InChI InChI=1S/C65H15NO4/c67-3(68)1-66-2-64-58-50-42-32-22-14-6-4-5-8-12-10(6)18-26-20(12)30-24-16(8)17-9(5)13-11-7(4)15(14)23-29-19(11)27-21(13)31-25(17)35-34(24)46-40(30)48-38(26)44(36(42)28(18)22)52(58)54(48)60-56(46)57-47(35)41(31)49-39(27)45-37(29)43(33(23)32)51(50)59(64)53(45)55(49)61(57)65(60,64)62(66)63(69)70/h14-15,22-23,36,44,53,59,62H,1-2H2,(H,67,68)(H,69,70)/t14-,15+,22+,23-,36-,44+,53-,59-,62+,64-,65+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50160862
(CHEMBL2373486 | Fullerene Derivative)Show SMILES [H][C@@]12C3=C4c5c6c7-c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%13c%13c%11c%11c%10c%10c8[C@]8([H])c%18c%19c%20c%21c(c3c3c1c(c%16c1c3c%21c3c%16c%20c(c%10%18)c%11c%16c%13c%17c13)c%15=C1[C@]2([H])c5c2c7[C@]9([H])[C@]%12([H])[C@@]%143C(C(O)=O)(C(O)=O)[C@]123)[C@@]%191C(C(O)=O)(C(O)=O)[C@]41[C@]68[H] |c:2,t:68| Show InChI InChI=1S/C66H10O8/c67-57(68)65(58(69)70)61-49-33-21-9-1-2-6-4-8-16-23(11(4)9)35(33)51(61)42-30(16)20-28-18(8)26-14(6)22-10(2)12-3-5(1)13(21)25-17-7(3)15-24(12)36-34(22)50-38(26)40(28)54-46-32(20)44(42)55-47-45-31-19(27(17)39(37(25)49)53(45)63(55,61)65)29(15)41-43(31)56(48(46)47)64(54)62(50,52(36)41)66(64,59(71)72)60(73)74/h31,40,42,45,51,54H,(H,67,68)(H,69,70)(H,71,72)(H,73,74)/t31-,40+,42+,45-,51+,54-,61-,62-,63+,64+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50160859
(CHEMBL269742 | Fullerene Derivative)Show SMILES CCCCCCCCCC[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 |c:16,t:23| Show InChI InChI=1S/C77H44N2.2HI/c1-5-6-7-8-9-10-11-12-13-79(4)16-76-69-54-40-29-22-21-25-18-19-24-20-23(18)34-43-32(25)39-28(21)30-31(29)42-38-41(30)51-50(39)66-52(43)53-45(34)36-27(20)37-46-35(24)44(33(40)26(19)22)56(69)57(46)70-59-48(37)47(36)58-62-63(59)73(77(70,76)17-79)65-61(71(76)55(42)54)49(38)60-64(65)72(62)75(67(53)58)15-78(2,3)14-74(66,75)68(51)60;;/h37,46,53,65,67,73H,5-17H2,1-4H3;2*1H/q+2;;/p-2/t37-,46+,53+,65-,67-,73+,74+,75-,76-,77+,79+;;/m0../s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50160860
(CHEMBL2373427 | Fullerene Derivative)Show SMILES [I-].[I-].[H][C@@]12C3=c4c5c6c7c8C(=C9c%10c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c5c5c7c7c%19c8[C@]8%20C[N+](C)(C)C[C@]98[C@@]%11([H])[C@]8([H])c%13c9c%11c8c%20c%19c8c%11c%11c(c%159)c%16c9c%18c4c4c9c%11c8c7c54)[C@@]45C[N+](C)(C)C[C@@]34c(c1%10)c%12[C@]%14([H])[C@@]%175[H])[C@@]26[H] |c:2,t:8| Show InChI InChI=1S/C68H26N2/c1-69(2)5-65-57-41-29-17-9-10-14-11-15-23-31(19(11)17)43(41)59(65)49-37(23)28-36-26(15)34-22(14)30-18(10)20-12-13(9)21(29)33-25-16(12)24-32(20)44-42(30)58-46(34)48(36)62-54-39(28)51(49)63-55-53-40-27(35(25)47(45(33)57)61(53)67(63,65)7-69)38(24)50-52(40)64(56(54)55)68(62)8-70(3,4)6-66(58,68)60(44)50/h39,47,50,54,60-61H,5-8H2,1-4H3/q+2/t39-,47+,50?,54-,60+,61-,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/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50160859
(CHEMBL269742 | Fullerene Derivative)Show SMILES CCCCCCCCCC[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 |c:16,t:23| Show InChI InChI=1S/C77H44N2.2HI/c1-5-6-7-8-9-10-11-12-13-79(4)16-76-69-54-40-29-22-21-25-18-19-24-20-23(18)34-43-32(25)39-28(21)30-31(29)42-38-41(30)51-50(39)66-52(43)53-45(34)36-27(20)37-46-35(24)44(33(40)26(19)22)56(69)57(46)70-59-48(37)47(36)58-62-63(59)73(77(70,76)17-79)65-61(71(76)55(42)54)49(38)60-64(65)72(62)75(67(53)58)15-78(2,3)14-74(66,75)68(51)60;;/h37,46,53,65,67,73H,5-17H2,1-4H3;2*1H/q+2;;/p-2/t37-,46+,53+,65-,67-,73+,74+,75-,76-,77+,79+;;/m0../s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50160861
(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/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50160858
(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/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50160865
(CHEMBL2373969 | Fullerene Derivative)Show SMILES [H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c%19c%18c%18c%16c%16c%15c%15c%13[C@]%13([H])c%20c%21c%22c(c8[C@@]%218[C@@H]([C@@H](CC(O)=C)[C@@H](C(O)=O)[C@]98[C@]%13([H])c%10%12)C(O)=O)c8c7c(c7c8c8c%22c(c%15%20)c%16c8c%18c%197)c54)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H] |c:2,t:8| Show InChI InChI=1S/C68H18O5/c1-3(69)2-4-59(65(70)71)67-61-51-43-33-23-15-7-5-6-9-13-11(7)19-27-21(13)31-25-17(9)18-10(6)14-12-8(5)16(15)24-30-20(12)28-22(14)32-26(18)36-35(25)45-39(31)49-41(27)47(37(43)29(19)23)55(61)57(49)63-53(45)54-46(36)40(32)50-42(28)48-38(30)44(34(24)33)52(51)62(67)56(48)58(50)64(54)68(63,67)60(4)66(72)73/h4,15-16,23-24,37,47,56,59-60,62H,2H2,1H3,(H,70,71)(H,72,73)/t4-,15+,16-,23-,24+,37+,47-,56+,59-,60-,62+,67+,68-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM1434
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | 
3D Structure (crystal) |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50160862
(CHEMBL2373486 | Fullerene Derivative)Show SMILES [H][C@@]12C3=C4c5c6c7-c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%13c%13c%11c%11c%10c%10c8[C@]8([H])c%18c%19c%20c%21c(c3c3c1c(c%16c1c3c%21c3c%16c%20c(c%10%18)c%11c%16c%13c%17c13)c%15=C1[C@]2([H])c5c2c7[C@]9([H])[C@]%12([H])[C@@]%143C(C(O)=O)(C(O)=O)[C@]123)[C@@]%191C(C(O)=O)(C(O)=O)[C@]41[C@]68[H] |c:2,t:68| Show InChI InChI=1S/C66H10O8/c67-57(68)65(58(69)70)61-49-33-21-9-1-2-6-4-8-16-23(11(4)9)35(33)51(61)42-30(16)20-28-18(8)26-14(6)22-10(2)12-3-5(1)13(21)25-17-7(3)15-24(12)36-34(22)50-38(26)40(28)54-46-32(20)44(42)55-47-45-31-19(27(17)39(37(25)49)53(45)63(55,61)65)29(15)41-43(31)56(48(46)47)64(54)62(50,52(36)41)66(64,59(71)72)60(73)74/h31,40,42,45,51,54H,(H,67,68)(H,69,70)(H,71,72)(H,73,74)/t31-,40+,42+,45-,51+,54-,61-,62-,63+,64+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50160864
(CHEMBL2373970 | Fullerene Derivative)Show SMILES [H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c5c5c7c7c%19c8[C@]8%20[C@@H](N(CC(O)=O)C[C@]98[C@]([H])(c%10%12)[C@]8([H])c%13c9c%10c8c%20c%19c8c%10c%10c(c%159)c%16c9c%18c4c4c9c%10c8c7c54)C(O)=O)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H] |c:2,t:8| Show InChI InChI=1S/C65H15NO4/c67-3(68)1-66-2-64-58-50-42-32-22-14-6-4-5-8-12-10(6)18-26-20(12)30-24-16(8)17-9(5)13-11-7(4)15(14)23-29-19(11)27-21(13)31-25(17)35-34(24)46-40(30)48-38(26)44(36(42)28(18)22)52(58)54(48)60-56(46)57-47(35)41(31)49-39(27)45-37(29)43(33(23)32)51(50)59(64)53(45)55(49)61(57)65(60,64)62(66)63(69)70/h14-15,22-23,36,44,53,59,62H,1-2H2,(H,67,68)(H,69,70)/t14-,15+,22+,23-,36-,44+,53-,59-,62+,64-,65+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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