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PubMed code 9357522

Compile data set for download or QSAR
Found 6 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
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50060525
PNG
((S)-4-(2-Amino-benzoylamino)-4-[(S)-1-[(1S,2S)-1-(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C31H42N7O12P/c1-3-16(2)26(31(46)36-22(27(34)42)15-24(33)39)38-30(45)23(14-17-8-10-18(11-9-17)50-51(47,48)49)37-29(44)21(12-13-25(40)41)35-28(43)19-6-4-5-7-20(19)32/h4-11,16,21-23,26H,3,12-15,32H2,1-2H3,(H2,33,39)(H2,34,42)(H,35,43)(H,36,46)(H,37,44)(H,38,45)(H,40,41)(H2,47,48,49)/t16-,21-,22-,23-,26-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 40: 3551-6 (1997)


Article DOI: 10.1021/jm9702185
BindingDB Entry DOI: 10.7270/Q2X06650
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50060522
PNG
(CHEMBL327037 | [(S)-1-[(1S,2S)-1-((S)-1,2-Dicarbam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C27H37N6O10P/c1-3-15(2)23(26(37)31-20(24(30)35)13-22(29)34)33-25(36)21(12-16-7-9-19(10-8-16)43-44(39,40)41)32-27(38)42-14-17-5-4-6-18(28)11-17/h4-11,15,20-21,23H,3,12-14,28H2,1-2H3,(H2,29,34)(H2,30,35)(H,31,37)(H,32,38)(H,33,36)(H2,39,40,41)/t15-,20-,21-,23-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
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UniChem

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Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 40: 3551-6 (1997)


Article DOI: 10.1021/jm9702185
BindingDB Entry DOI: 10.7270/Q2X06650
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50060524
PNG
(CHEMBL420319 | [(S)-1-[(1S,2S)-1-((S)-1,2-Dicarbam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C27H36N5O10P/c1-3-16(2)23(26(36)30-20(24(29)34)14-22(28)33)32-25(35)21(31-27(37)41-15-18-7-5-4-6-8-18)13-17-9-11-19(12-10-17)42-43(38,39)40/h4-12,16,20-21,23H,3,13-15H2,1-2H3,(H2,28,33)(H2,29,34)(H,30,36)(H,31,37)(H,32,35)(H2,38,39,40)/t16-,20-,21-,23-/m0/s1
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PubMed
n/an/a 6.35E+3n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 40: 3551-6 (1997)


Article DOI: 10.1021/jm9702185
BindingDB Entry DOI: 10.7270/Q2X06650
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50060520
PNG
((S)-4-Amino-4-[(S)-1-[(1S,2S)-1-((S)-1,2-dicarbamo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C24H37N6O11P/c1-3-12(2)20(24(37)28-16(21(27)34)11-18(26)31)30-23(36)17(29-22(35)15(25)8-9-19(32)33)10-13-4-6-14(7-5-13)41-42(38,39)40/h4-7,12,15-17,20H,3,8-11,25H2,1-2H3,(H2,26,31)(H2,27,34)(H,28,37)(H,29,35)(H,30,36)(H,32,33)(H2,38,39,40)/t12-,15-,16-,17-,20-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 40: 3551-6 (1997)


Article DOI: 10.1021/jm9702185
BindingDB Entry DOI: 10.7270/Q2X06650
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50060523
PNG
(CHEMBL118574 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C21H32N5O9P/c1-4-11(2)18(21(31)25-15(19(23)29)10-17(22)28)26-20(30)16(24-12(3)27)9-13-5-7-14(8-6-13)35-36(32,33)34/h5-8,11,15-16,18H,4,9-10H2,1-3H3,(H2,22,28)(H2,23,29)(H,24,27)(H,25,31)(H,26,30)(H2,32,33,34)/t11-,15-,16-,18-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.64E+3n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 40: 3551-6 (1997)


Article DOI: 10.1021/jm9702185
BindingDB Entry DOI: 10.7270/Q2X06650
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50060521
PNG
(CHEMBL118200 | Phosphoric acid mono-(4-{(S)-2-amin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C19H30N5O8P/c1-3-10(2)16(19(28)23-14(17(22)26)9-15(21)25)24-18(27)13(20)8-11-4-6-12(7-5-11)32-33(29,30)31/h4-7,10,13-14,16H,3,8-9,20H2,1-2H3,(H2,21,25)(H2,22,26)(H,23,28)(H,24,27)(H2,29,30,31)/t10-,13-,14-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 5.69E+4n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

J Med Chem 40: 3551-6 (1997)


Article DOI: 10.1021/jm9702185
BindingDB Entry DOI: 10.7270/Q2X06650
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%