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PubMed code 7473554

Compile data set for download or QSAR
Found 7 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
Grb2-SH2


(Homo sapiens (human))
BDBM50029335
PNG
((S)-4-[(2S,3S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C35H54N9O15P/c1-6-17(4)29(35(55)40-21(30(38)50)11-12-27(48)49)44-33(53)24(15-26(37)47)42-34(54)28(16(2)3)43-32(52)22(41-31(51)23(14-25(36)46)39-18(5)45)13-19-7-9-20(10-8-19)59-60(56,57)58/h7-10,16-17,21-24,28-29H,6,11-15H2,1-5H3,(H2,36,46)(H2,37,47)(H2,38,50)(H,39,45)(H,40,55)(H,41,51)(H,42,54)(H,43,52)(H,44,53)(H,48,49)(H2,56,57,58)/t17-,21-,22-,23-,24-,28-,29-/m0/s1
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PubMed
n/an/a 900n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of binding to Growth factor receptor bound protein 2 SH2 domain


J Med Chem 38: 4270-5 (1995)


Article DOI: 10.1021/jm00021a016
BindingDB Entry DOI: 10.7270/Q2HX1BP2
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM50029333
PNG
(Ac-L-N-pTyr-I-D-L-D-L-V-amide | CHEMBL438997)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C52H84N11O19P/c1-12-28(10)43(63-51(77)35(20-30-13-15-31(16-14-30)82-83(79,80)81)58-47(73)36(21-39(53)65)59-45(71)32(17-24(2)3)55-29(11)64)52(78)61-38(23-41(68)69)49(75)56-33(18-25(4)5)46(72)60-37(22-40(66)67)48(74)57-34(19-26(6)7)50(76)62-42(27(8)9)44(54)70/h13-16,24-28,32-38,42-43H,12,17-23H2,1-11H3,(H2,53,65)(H2,54,70)(H,55,64)(H,56,75)(H,57,74)(H,58,73)(H,59,71)(H,60,72)(H,61,78)(H,62,76)(H,63,77)(H,66,67)(H,68,69)(H2,79,80,81)/t28-,32-,33-,34-,35-,36-,37-,38-,42-,43-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against SH2 domain of SH-PTP2 (N-terminal) binding


J Med Chem 38: 4270-5 (1995)


Article DOI: 10.1021/jm00021a016
BindingDB Entry DOI: 10.7270/Q2HX1BP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50029329
PNG
((S)-4-{(S)-2-[(S)-2-((S)-2-Acetylamino-4-carbamoyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C37H55N8O16P/c1-4-19(2)31(37(57)45-17-5-6-27(45)32(39)52)44-35(55)25(13-16-30(50)51)41-34(54)24(12-15-29(48)49)42-36(56)26(18-21-7-9-22(10-8-21)61-62(58,59)60)43-33(53)23(40-20(3)46)11-14-28(38)47/h7-10,19,23-27,31H,4-6,11-18H2,1-3H3,(H2,38,47)(H2,39,52)(H,40,46)(H,41,54)(H,42,56)(H,43,53)(H,44,55)(H,48,49)(H,50,51)(H2,58,59,60)/t19-,23-,24-,25-,26-,27-,31-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Src protein tryrosine kinase SH2 domain


J Med Chem 38: 4270-5 (1995)


Article DOI: 10.1021/jm00021a016
BindingDB Entry DOI: 10.7270/Q2HX1BP2
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM50029332
PNG
(Ac-L-N-OMT-I-D-L-D-L-V-amide | CHEMBL263010)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C55H85N11O20/c1-12-28(10)43(66-52(80)35(20-30-13-15-31(16-14-30)86-44(54(82)83)55(84)85)61-48(76)36(21-39(56)68)62-46(74)32(17-24(2)3)58-29(11)67)53(81)64-38(23-41(71)72)50(78)59-33(18-25(4)5)47(75)63-37(22-40(69)70)49(77)60-34(19-26(6)7)51(79)65-42(27(8)9)45(57)73/h13-16,24-28,32-38,42-44H,12,17-23H2,1-11H3,(H2,56,68)(H2,57,73)(H,58,67)(H,59,78)(H,60,77)(H,61,76)(H,62,74)(H,63,75)(H,64,81)(H,65,79)(H,66,80)(H,69,70)(H,71,72)(H,82,83)(H,84,85)/t28-,32-,33-,34-,35-,36-,37-,38-,42-,43-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against SH2 domain of SH-PTP2 (N-terminal) binding


J Med Chem 38: 4270-5 (1995)


Article DOI: 10.1021/jm00021a016
BindingDB Entry DOI: 10.7270/Q2HX1BP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50029331
PNG
(2-[4-(2-[2-(2-Acetylamino-4-carbamoyl-butyrylamino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C47H60N8O20/c1-4-22(2)35(43(65)55-19-5-6-32(55)38(49)60)54-40(62)29(16-18-34(58)59)51-41(63)30(20-24-7-11-26(12-8-24)74-36(44(66)67)45(68)69)53-42(64)31(52-39(61)28(50-23(3)56)15-17-33(48)57)21-25-9-13-27(14-10-25)75-37(46(70)71)47(72)73/h7-14,22,28-32,35-37H,4-6,15-21H2,1-3H3,(H2,48,57)(H2,49,60)(H,50,56)(H,51,63)(H,52,61)(H,53,64)(H,54,62)(H,58,59)(H,66,67)(H,68,69)(H,70,71)(H,72,73)/t22-,28-,29-,30-,31-,32-,35-/m0/s1
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PubMed
n/an/a 2.28E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Src protein tryrosine kinase SH2 domain


J Med Chem 38: 4270-5 (1995)


Article DOI: 10.1021/jm00021a016
BindingDB Entry DOI: 10.7270/Q2HX1BP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50029334
PNG
(2-{4-[(S)-2-((S)-2-Acetylamino-4-carbamoyl-butyryl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C40H56N8O17/c1-4-19(2)31(38(60)48-17-5-6-27(48)33(42)55)47-36(58)25(13-16-30(53)54)44-35(57)24(12-15-29(51)52)45-37(59)26(46-34(56)23(43-20(3)49)11-14-28(41)50)18-21-7-9-22(10-8-21)65-32(39(61)62)40(63)64/h7-10,19,23-27,31-32H,4-6,11-18H2,1-3H3,(H2,41,50)(H2,42,55)(H,43,49)(H,44,57)(H,45,59)(H,46,56)(H,47,58)(H,51,52)(H,53,54)(H,61,62)(H,63,64)/t19-,23-,24-,25-,26-,27-,31-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Src protein tryrosine kinase SH2 domain


J Med Chem 38: 4270-5 (1995)


Article DOI: 10.1021/jm00021a016
BindingDB Entry DOI: 10.7270/Q2HX1BP2
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50029328
PNG
(2-{4-[(S)-2-((S)-2-Acetylamino-3-carbamoyl-propion...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N9O16/c1-6-17(4)29(36(58)43-21(31(41)53)11-12-27(51)52)47-34(56)24(15-26(40)50)45-35(57)28(16(2)3)46-33(55)22(44-32(54)23(14-25(39)49)42-18(5)48)13-19-7-9-20(10-8-19)63-30(37(59)60)38(61)62/h7-10,16-17,21-24,28-30H,6,11-15H2,1-5H3,(H2,39,49)(H2,40,50)(H2,41,53)(H,42,48)(H,43,58)(H,44,54)(H,45,57)(H,46,55)(H,47,56)(H,51,52)(H,59,60)(H,61,62)/t17-,21-,22-,23-,24-,28-,29-/m0/s1
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PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of binding to Growth factor receptor bound protein 2 SH2 domain


J Med Chem 38: 4270-5 (1995)


Article DOI: 10.1021/jm00021a016
BindingDB Entry DOI: 10.7270/Q2HX1BP2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%