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PubMed code 10893305

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
GTPase HRas


(Homo sapiens (Human))
BDBM50089961
PNG
(5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)ccc5n4C)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C42H46Cl2N12O5/c1-52-22-28(19-33(52)39(58)47-14-11-37(45)46)49-40(59)34-20-29(23-53(34)2)50-41(60)35-21-30(24-54(35)3)51-42(61)36-18-26-17-27(7-10-32(26)55(36)4)48-38(57)25-5-8-31(9-6-25)56(15-12-43)16-13-44/h5-10,17-24H,11-16H2,1-4H3,(H3,45,46)(H,47,58)(H,48,57)(H,49,59)(H,50,60)(H,51,61)
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n/an/a 15n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products


J Med Chem 43: 2675-84 (2000)


Article DOI: 10.1021/jm9911229
BindingDB Entry DOI: 10.7270/Q2959J79
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50089960
PNG
(5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1H...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc5ccc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)cc5[nH]4)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C40H43Cl2N13O5/c1-52-20-25(17-31(52)37(57)45-13-10-34(43)44)47-38(58)32-18-26(21-53(32)2)48-39(59)33-19-27(22-54(33)3)49-40(60)35-50-29-9-6-24(16-30(29)51-35)46-36(56)23-4-7-28(8-5-23)55(14-11-41)15-12-42/h4-9,16-22H,10-15H2,1-3H3,(H3,43,44)(H,45,57)(H,46,56)(H,47,58)(H,48,59)(H,49,60)(H,50,51)
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n/an/a 15n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products


J Med Chem 43: 2675-84 (2000)


Article DOI: 10.1021/jm9911229
BindingDB Entry DOI: 10.7270/Q2959J79
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50089962
PNG
(5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-be...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)ccc5o4)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C41H43Cl2N11O6/c1-51-21-27(18-31(51)38(56)46-13-10-36(44)45)48-39(57)32-19-28(22-52(32)2)49-40(58)33-20-29(23-53(33)3)50-41(59)35-17-25-16-26(6-9-34(25)60-35)47-37(55)24-4-7-30(8-5-24)54(14-11-42)15-12-43/h4-9,16-23H,10-15H2,1-3H3,(H3,44,45)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,59)
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n/an/a 15n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products


J Med Chem 43: 2675-84 (2000)


Article DOI: 10.1021/jm9911229
BindingDB Entry DOI: 10.7270/Q2959J79
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50089967
PNG
(5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1H...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)ccc5[nH]4)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C41H44Cl2N12O5/c1-52-22-28(18-33(52)39(58)46-13-10-36(44)45)49-41(60)35-20-29(23-54(35)3)50-40(59)34-19-27(21-53(34)2)48-38(57)32-17-25-16-26(6-9-31(25)51-32)47-37(56)24-4-7-30(8-5-24)55(14-11-42)15-12-43/h4-9,16-23,51H,10-15H2,1-3H3,(H3,44,45)(H,46,58)(H,47,56)(H,48,57)(H,49,60)(H,50,59)
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n/an/a 15n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products


J Med Chem 43: 2675-84 (2000)


Article DOI: 10.1021/jm9911229
BindingDB Entry DOI: 10.7270/Q2959J79
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50089969
PNG
(5-[Bis-(2-chloro-ethyl)-amino]-benzofuran-2-carbox...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5o4)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C34H38Cl2N10O5/c1-43-17-21(14-25(43)31(47)39-9-6-30(37)38)40-32(48)26-15-22(18-44(26)2)41-33(49)27-16-23(19-45(27)3)42-34(50)29-13-20-12-24(4-5-28(20)51-29)46(10-7-35)11-8-36/h4-5,12-19H,6-11H2,1-3H3,(H3,37,38)(H,39,47)(H,40,48)(H,41,49)(H,42,50)
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n/an/a 15n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products


J Med Chem 43: 2675-84 (2000)


Article DOI: 10.1021/jm9911229
BindingDB Entry DOI: 10.7270/Q2959J79
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50089971
PNG
(5-[Bis-(2-chloro-ethyl)-amino]-1-methyl-1H-indole-...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5n4C)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C35H41Cl2N11O4/c1-44-18-22(15-27(44)32(49)40-10-7-31(38)39)41-33(50)28-16-23(19-45(28)2)42-34(51)29-17-24(20-46(29)3)43-35(52)30-14-21-13-25(5-6-26(21)47(30)4)48(11-8-36)12-9-37/h5-6,13-20H,7-12H2,1-4H3,(H3,38,39)(H,40,49)(H,41,50)(H,42,51)(H,43,52)
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n/an/a 20n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products


J Med Chem 43: 2675-84 (2000)


Article DOI: 10.1021/jm9911229
BindingDB Entry DOI: 10.7270/Q2959J79
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50089978
PNG
(5-[Bis-(2-chloro-ethyl)-amino]-1H-indole-2-carboxy...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5[nH]4)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C34H39Cl2N11O4/c1-44-18-22(14-27(44)32(49)39-9-6-30(37)38)41-34(51)29-16-23(19-46(29)3)42-33(50)28-15-21(17-45(28)2)40-31(48)26-13-20-12-24(4-5-25(20)43-26)47(10-7-35)11-8-36/h4-5,12-19,43H,6-11H2,1-3H3,(H3,37,38)(H,39,49)(H,40,48)(H,41,51)(H,42,50)
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n/an/a 20n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products


J Med Chem 43: 2675-84 (2000)


Article DOI: 10.1021/jm9911229
BindingDB Entry DOI: 10.7270/Q2959J79
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50055659
PNG
(2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...)
Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1
Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
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PubMed
n/an/a 200n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products


J Med Chem 43: 2675-84 (2000)


Article DOI: 10.1021/jm9911229
BindingDB Entry DOI: 10.7270/Q2959J79
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%