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PubMed code 15689160

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
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50161188
PNG
((S)-4-{4-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES NC(=O)C[C@H](NC(=O)CCCCCNC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C35H45N4O9P/c36-31(40)22-30(35(45)38-19-7-11-27-10-6-9-26-8-3-4-12-29(26)27)39-32(41)13-2-1-5-18-37-34(44)28(21-33(42)43)20-24-14-16-25(17-15-24)23-49(46,47)48/h3-4,6,8-10,12,14-17,28,30H,1-2,5,7,11,13,18-23H2,(H2,36,40)(H,37,44)(H,38,45)(H,39,41)(H,42,43)(H2,46,47,48)/t28-,30+/m1/s1
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n/an/an/a 97.8n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cells

J Med Chem 48: 764-72 (2005)


Article DOI: 10.1021/jm0492709
BindingDB Entry DOI: 10.7270/Q2C828TM
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50161190
PNG
(CHEMBL424969 | Phosphoric acid mono-[(S)-4-(2-acet...)
Show SMILES NC(=O)C[C@H](NC(=O)CCNC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C32H39N4O9P/c33-28(37)19-27(32(42)34-15-4-8-24-7-3-6-23-5-1-2-9-26(23)24)36-29(38)14-16-35-31(41)25(18-30(39)40)17-21-10-12-22(13-11-21)20-46(43,44)45/h1-3,5-7,9-13,25,27H,4,8,14-20H2,(H2,33,37)(H,34,42)(H,35,41)(H,36,38)(H,39,40)(H2,43,44,45)/t25-,27+/m1/s1
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n/an/an/a 23.8n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cells

J Med Chem 48: 764-72 (2005)


Article DOI: 10.1021/jm0492709
BindingDB Entry DOI: 10.7270/Q2C828TM
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50161189
PNG
((S)-4-{5-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES C[C@@]1(Cc2ccc(cc2)P(O)(O)=O)NC(=O)CC(\C=C\C[C@@H](Cc2cccc3ccccc23)CNC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(CP(O)(O)=O)cc1 |t:19|
Show InChI InChI=1S/C40H46N4O10P2/c1-40(23-26-14-18-33(19-15-26)56(52,53)54)39(48)43-35(22-36(41)45)38(47)42-24-28(20-32-10-5-8-30-7-2-3-11-34(30)32)6-4-9-31(21-37(46)44-40)29-16-12-27(13-17-29)25-55(49,50)51/h2-5,7-19,28,31,35H,6,20-25H2,1H3,(H2,41,45)(H,42,47)(H,43,48)(H,44,46)(H2,49,50,51)(H2,52,53,54)/b9-4+/t28-,31?,35-,40-/m0/s1
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n/an/an/a 2.28n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cells

J Med Chem 48: 764-72 (2005)


Article DOI: 10.1021/jm0492709
BindingDB Entry DOI: 10.7270/Q2C828TM
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50161189
PNG
((S)-4-{5-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES C[C@@]1(Cc2ccc(cc2)P(O)(O)=O)NC(=O)CC(\C=C\C[C@@H](Cc2cccc3ccccc23)CNC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(CP(O)(O)=O)cc1 |t:19|
Show InChI InChI=1S/C40H46N4O10P2/c1-40(23-26-14-18-33(19-15-26)56(52,53)54)39(48)43-35(22-36(41)45)38(47)42-24-28(20-32-10-5-8-30-7-2-3-11-34(30)32)6-4-9-31(21-37(46)44-40)29-16-12-27(13-17-29)25-55(49,50)51/h2-5,7-19,28,31,35H,6,20-25H2,1H3,(H2,41,45)(H,42,47)(H,43,48)(H,44,46)(H2,49,50,51)(H2,52,53,54)/b9-4+/t28-,31?,35-,40-/m0/s1
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n/an/an/a 0.0970n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cells

J Med Chem 48: 764-72 (2005)


Article DOI: 10.1021/jm0492709
BindingDB Entry DOI: 10.7270/Q2C828TM
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50161189
PNG
((S)-4-{5-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES C[C@@]1(Cc2ccc(cc2)P(O)(O)=O)NC(=O)CC(\C=C\C[C@@H](Cc2cccc3ccccc23)CNC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(CP(O)(O)=O)cc1 |t:19|
Show InChI InChI=1S/C40H46N4O10P2/c1-40(23-26-14-18-33(19-15-26)56(52,53)54)39(48)43-35(22-36(41)45)38(47)42-24-28(20-32-10-5-8-30-7-2-3-11-34(30)32)6-4-9-31(21-37(46)44-40)29-16-12-27(13-17-29)25-55(49,50)51/h2-5,7-19,28,31,35H,6,20-25H2,1H3,(H2,41,45)(H,42,47)(H,43,48)(H,44,46)(H2,49,50,51)(H2,52,53,54)/b9-4+/t28-,31?,35-,40-/m0/s1
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n/an/an/a 4.30n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cells

J Med Chem 48: 764-72 (2005)


Article DOI: 10.1021/jm0492709
BindingDB Entry DOI: 10.7270/Q2C828TM
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50161189
PNG
((S)-4-{5-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES C[C@@]1(Cc2ccc(cc2)P(O)(O)=O)NC(=O)CC(\C=C\C[C@@H](Cc2cccc3ccccc23)CNC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(CP(O)(O)=O)cc1 |t:19|
Show InChI InChI=1S/C40H46N4O10P2/c1-40(23-26-14-18-33(19-15-26)56(52,53)54)39(48)43-35(22-36(41)45)38(47)42-24-28(20-32-10-5-8-30-7-2-3-11-34(30)32)6-4-9-31(21-37(46)44-40)29-16-12-27(13-17-29)25-55(49,50)51/h2-5,7-19,28,31,35H,6,20-25H2,1H3,(H2,41,45)(H,42,47)(H,43,48)(H,44,46)(H2,49,50,51)(H2,52,53,54)/b9-4+/t28-,31?,35-,40-/m0/s1
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n/an/an/a 2.28n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cells

J Med Chem 48: 764-72 (2005)


Article DOI: 10.1021/jm0492709
BindingDB Entry DOI: 10.7270/Q2C828TM
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50161191
PNG
((S)-4-{2-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...)
Show SMILES NC(=O)C[C@H](NC(=O)CCCCNC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C34H43N4O9P/c35-30(39)21-29(34(44)37-18-6-10-26-9-5-8-25-7-1-2-11-28(25)26)38-31(40)12-3-4-17-36-33(43)27(20-32(41)42)19-23-13-15-24(16-14-23)22-48(45,46)47/h1-2,5,7-9,11,13-16,27,29H,3-4,6,10,12,17-22H2,(H2,35,39)(H,36,43)(H,37,44)(H,38,40)(H,41,42)(H2,45,46,47)/t27-,29+/m1/s1
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PubMed
n/an/an/a 14.8n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cells

J Med Chem 48: 764-72 (2005)


Article DOI: 10.1021/jm0492709
BindingDB Entry DOI: 10.7270/Q2C828TM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%