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PubMed code 10395476

Compile data set for download or QSAR
Found 3 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))		BDBM50078348
PNG
(CHEMBL77689 | [(S)-1-[1-((S)-1,2-Dicarbamoyl-ethyl...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O
Show InChI InChI=1S/C28H37N6O10P/c29-19-6-4-5-18(13-19)16-43-27(39)33-22(14-17-7-9-20(10-8-17)44-45(40,41)42)25(37)34-28(11-2-1-3-12-28)26(38)32-21(24(31)36)15-23(30)35/h4-10,13,21-22H,1-3,11-12,14-16,29H2,(H2,30,35)(H2,31,36)(H,32,38)(H,33,39)(H,34,37)(H2,40,41,42)/t21-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/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 42: 2358-63 (1999)


Article DOI: 10.1021/jm991013u
BindingDB Entry DOI: 10.7270/Q2S181PH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50078347
PNG
(CHEMBL307890 | [(S)-1-[1-((1R,6S)-6-Carbamoyl-cycl...)
Show SMILES NC(=O)[C@H]1CCC=C[C@H]1NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1 |c:6|
Show InChI InChI=1S/C31H40N5O9P/c32-22-8-6-7-21(17-22)19-44-30(40)35-26(18-20-11-13-23(14-12-20)45-46(41,42)43)28(38)36-31(15-4-1-5-16-31)29(39)34-25-10-3-2-9-24(25)27(33)37/h3,6-8,10-14,17,24-26H,1-2,4-5,9,15-16,18-19,32H2,(H2,33,37)(H,34,39)(H,35,40)(H,36,38)(H2,41,42,43)/t24-,25+,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
MMDB
Article
PubMed
n/an/a 1.60n/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 42: 2358-63 (1999)


Article DOI: 10.1021/jm991013u
BindingDB Entry DOI: 10.7270/Q2S181PH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50078346
PNG
(CHEMBL310056 | [(S)-1-[1-((1S,6R)-6-Carbamoyl-cycl...)
Show SMILES NC(=O)[C@@H]1CCC=C[C@@H]1NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1 |c:6|
Show InChI InChI=1S/C31H40N5O9P/c32-22-8-6-7-21(17-22)19-44-30(40)35-26(18-20-11-13-23(14-12-20)45-46(41,42)43)28(38)36-31(15-4-1-5-16-31)29(39)34-25-10-3-2-9-24(25)27(33)37/h3,6-8,10-14,17,24-26H,1-2,4-5,9,15-16,18-19,32H2,(H2,33,37)(H,34,39)(H,35,40)(H,36,38)(H2,41,42,43)/t24-,25+,26+/m1/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>5.00E+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 42: 2358-63 (1999)


Article DOI: 10.1021/jm991013u
BindingDB Entry DOI: 10.7270/Q2S181PH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
* indicates data uncertainty>20%