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PubMed code 16078854

Compile data set for download or QSAR
Found 4 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))		BDBM50072862
PNG
(CHEMBL117807 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C35H44N5O9P/c1-23(41)38-29(21-24-14-16-27(17-15-24)49-50(46,47)48)33(44)40-35(18-5-2-6-19-35)34(45)39-30(22-31(36)42)32(43)37-20-8-12-26-11-7-10-25-9-3-4-13-28(25)26/h3-4,7,9-11,13-17,29-30H,2,5-6,8,12,18-22H2,1H3,(H2,36,42)(H,37,43)(H,38,41)(H,39,45)(H,40,44)(H2,46,47,48)/t29-,30-/m0/s1
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UniChem

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Article
PubMed
n/an/a 47n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Grb2 SH2 domain binding in ELISA

J Med Chem 48: 5369-72 (2005)


Article DOI: 10.1021/jm050154v
BindingDB Entry DOI: 10.7270/Q2513XRP
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50085867
PNG
(2-(4-((S)-3-(1-((S)-4-amino-1-(3-(naphthalen-1-yl)...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(cc1)C(C(O)=O)C(O)=O)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C38H43N5O11/c39-29(44)21-28(31(45)40-19-7-11-24-10-6-9-23-8-2-3-12-26(23)24)42-37(54)38(17-4-1-5-18-38)43-32(46)27(41-33(47)36(52)53)20-22-13-15-25(16-14-22)30(34(48)49)35(50)51/h2-3,6,8-10,12-16,27-28,30H,1,4-5,7,11,17-21H2,(H2,39,44)(H,40,45)(H,41,47)(H,42,54)(H,43,46)(H,48,49)(H,50,51)(H,52,53)/t27-,28-/m0/s1
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PubMed
n/an/a 70n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Grb2 SH2 domain binding in ELISA

J Med Chem 48: 5369-72 (2005)


Article DOI: 10.1021/jm050154v
BindingDB Entry DOI: 10.7270/Q2513XRP
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50085877
PNG
(CHEMBL355066 | N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-n...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C37H43N5O9/c38-30(43)22-29(32(46)39-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)41-36(51)37(17-4-1-5-18-37)42-33(47)28(40-34(48)35(49)50)20-23-13-15-24(16-14-23)21-31(44)45/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,38,43)(H,39,46)(H,40,48)(H,41,51)(H,42,47)(H,44,45)(H,49,50)/t28-,29-/m0/s1
PDB
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Grb2 SH2 domain binding

J Med Chem 48: 5369-72 (2005)


Article DOI: 10.1021/jm050154v
BindingDB Entry DOI: 10.7270/Q2513XRP
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50085877
PNG
(CHEMBL355066 | N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-n...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C37H43N5O9/c38-30(43)22-29(32(46)39-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)41-36(51)37(17-4-1-5-18-37)42-33(47)28(40-34(48)35(49)50)20-23-13-15-24(16-14-23)21-31(44)45/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,38,43)(H,39,46)(H,40,48)(H,41,51)(H,42,47)(H,44,45)(H,49,50)/t28-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Grb2 SH2 domain binding in ELISA

J Med Chem 48: 5369-72 (2005)


Article DOI: 10.1021/jm050154v
BindingDB Entry DOI: 10.7270/Q2513XRP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%