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PubMed code 15056012

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))		BDBM50139763
PNG
(CHEMBL306657 | [(E)-(9S,10S,14S,18S)-18-Carbamoylm...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:24|
Show InChI InChI=1S/C39H47N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6-7,9-17,26,31-33H,1,4-5,8,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in in surface plasmon resonance (SPR) method

J Med Chem 47: 2166-9 (2004)


Article DOI: 10.1021/jm030510e
BindingDB Entry DOI: 10.7270/Q2668CNN
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50139763
PNG
(CHEMBL306657 | [(E)-(9S,10S,14S,18S)-18-Carbamoylm...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:24|
Show InChI InChI=1S/C39H47N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6-7,9-17,26,31-33H,1,4-5,8,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in in surface plasmon resonance (SPR) method

J Med Chem 47: 2166-9 (2004)


Article DOI: 10.1021/jm030510e
BindingDB Entry DOI: 10.7270/Q2668CNN
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50143944
PNG
(2-[4-((E)-(9S,10S,14S,18S)-18-Carbamoylmethyl-9-ca...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C([O-])=O)C([O-])=O |t:24|
Show InChI InChI=1S/C41H46N4O10/c42-33(46)22-32-37(50)43-23-24(20-28-11-7-10-25-9-2-3-12-29(25)28)8-6-13-30(26-14-16-27(17-15-26)35(38(51)52)39(53)54)31(21-34(47)48)36(49)45-41(40(55)44-32)18-4-1-5-19-41/h2-3,6-7,9-17,24,30-32,35H,1,4-5,8,18-23H2,(H2,42,46)(H,43,50)(H,44,55)(H,45,49)(H,47,48)(H,51,52)(H,53,54)/p-2/b13-6+/t24-,30+,31-,32-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in ELISA method

J Med Chem 47: 2166-9 (2004)


Article DOI: 10.1021/jm030510e
BindingDB Entry DOI: 10.7270/Q2668CNN
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50072865
PNG
(CHEMBL55627 | N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-na...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CP(O)(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C36H44N5O10P/c37-30(42)21-29(31(43)38-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)40-35(48)36(17-4-1-5-18-36)41-32(44)28(39-33(45)34(46)47)20-23-13-15-24(16-14-23)22-52(49,50)51/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,37,42)(H,38,43)(H,39,45)(H,40,48)(H,41,44)(H,46,47)(H2,49,50,51)/t28-,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in ELISA method

J Med Chem 47: 2166-9 (2004)


Article DOI: 10.1021/jm030510e
BindingDB Entry DOI: 10.7270/Q2668CNN
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50143944
PNG
(2-[4-((E)-(9S,10S,14S,18S)-18-Carbamoylmethyl-9-ca...)
Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C([O-])=O)C([O-])=O |t:24|
Show InChI InChI=1S/C41H46N4O10/c42-33(46)22-32-37(50)43-23-24(20-28-11-7-10-25-9-2-3-12-29(25)28)8-6-13-30(26-14-16-27(17-15-26)35(38(51)52)39(53)54)31(21-34(47)48)36(49)45-41(40(55)44-32)18-4-1-5-19-41/h2-3,6-7,9-17,24,30-32,35H,1,4-5,8,18-23H2,(H2,42,46)(H,43,50)(H,44,55)(H,45,49)(H,47,48)(H,51,52)(H,53,54)/p-2/b13-6+/t24-,30+,31-,32-/m0/s1
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n/an/a 12.1n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in in surface plasmon resonance (SPR) method

J Med Chem 47: 2166-9 (2004)


Article DOI: 10.1021/jm030510e
BindingDB Entry DOI: 10.7270/Q2668CNN
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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n/an/a 22.1n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in ELISA method

J Med Chem 47: 2166-9 (2004)


Article DOI: 10.1021/jm030510e
BindingDB Entry DOI: 10.7270/Q2668CNN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%