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PubMed code 15943469

Compile data set for download or QSAR
Found 14 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))		BDBM50168312
PNG
(2-{4-[(16R,20S)-18-((S)-Carbamoylmethyl)-9-carboxy...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(cc3)C(C(O)=O)C(O)=O)ccc2c1 |t:36|
Show InChI InChI=1S/C40H47N5O10/c1-23-8-13-31-27(18-23)14-17-45(31)22-24-6-5-7-28(25-9-11-26(12-10-25)34(37(51)52)38(53)54)29(19-33(47)48)35(49)44-40(15-3-2-4-16-40)39(55)43-30(20-32(41)46)36(50)42-21-24/h5,7-14,17-18,24,28-30,34H,2-4,6,15-16,19-22H2,1H3,(H2,41,46)(H,42,50)(H,43,55)(H,44,49)(H,47,48)(H,51,52)(H,53,54)/b7-5+/t24-,28-,29+,30+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168318
PNG
(CHEMBL424823 | [(15R,20S)-18-Carbamoylmethyl-10-[4...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(C)(O)=O)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C39H50N5O8P/c1-25-9-14-33-29(19-25)15-18-44(33)23-27-7-6-8-30(28-12-10-26(11-13-28)24-53(2,51)52)31(20-35(46)47)36(48)43-39(16-4-3-5-17-39)38(50)42-32(21-34(40)45)37(49)41-22-27/h6,8-15,18-19,27,30-32H,3-5,7,16-17,20-24H2,1-2H3,(H2,40,45)(H,41,49)(H,42,50)(H,43,48)(H,46,47)(H,51,52)/b8-6+/t27-,30-,31+,32+/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168317
PNG
(CHEMBL193281 | [(15R,20S)-10-[4-(Benzyl-hydroxy-ph...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(O)(=O)Cc4ccccc4)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C45H54N5O8P/c1-30-13-18-39-35(23-30)19-22-50(39)27-33-11-8-12-36(34-16-14-32(15-17-34)29-59(57,58)28-31-9-4-2-5-10-31)37(24-41(52)53)42(54)49-45(20-6-3-7-21-45)44(56)48-38(25-40(46)51)43(55)47-26-33/h2,4-5,8-10,12-19,22-23,33,36-38H,3,6-7,11,20-21,24-29H2,1H3,(H2,46,51)(H,47,55)(H,48,56)(H,49,54)(H,52,53)(H,57,58)/b12-8+/t33-,36-,37+,38+/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168316
PNG
(CHEMBL263328 | N-{4-[(7S,14R,18S)-18-Carbamoylmeth...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(NC(=O)C(O)=O)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C39H46N6O9/c1-23-8-13-31-26(18-23)14-17-45(31)22-24-6-5-7-28(25-9-11-27(12-10-25)42-36(51)37(52)53)29(19-33(47)48)34(49)44-39(15-3-2-4-16-39)38(54)43-30(20-32(40)46)35(50)41-21-24/h5,7-14,17-18,24,28-30H,2-4,6,15-16,19-22H2,1H3,(H2,40,46)(H,41,50)(H,42,51)(H,43,54)(H,44,49)(H,47,48)(H,52,53)/b7-5+/t24-,28-,29+,30+/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50139762
PNG
(CHEMBL349373 | [(16R,20S)-18-((S)-Carbamoylmethyl)...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(O)(O)=O)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C38H48N5O9P/c1-24-8-13-32-28(18-24)14-17-43(32)22-26-6-5-7-29(27-11-9-25(10-12-27)23-53(50,51)52)30(19-34(45)46)35(47)42-38(15-3-2-4-16-38)37(49)41-31(20-33(39)44)36(48)40-21-26/h5,7-14,17-18,26,29-31H,2-4,6,15-16,19-23H2,1H3,(H2,39,44)(H,40,48)(H,41,49)(H,42,47)(H,45,46)(H2,50,51,52)/b7-5+/t26-,29-,30+,31+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168314
PNG
(CHEMBL193015 | [(7S,14R,18S)-18-Carbamoylmethyl-10...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CC(O)=O)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C39H47N5O8/c1-24-8-13-32-28(18-24)14-17-44(32)23-26-6-5-7-29(27-11-9-25(10-12-27)19-34(46)47)30(20-35(48)49)36(50)43-39(15-3-2-4-16-39)38(52)42-31(21-33(40)45)37(51)41-22-26/h5,7-14,17-18,26,29-31H,2-4,6,15-16,19-23H2,1H3,(H2,40,45)(H,41,51)(H,42,52)(H,43,50)(H,46,47)(H,48,49)/b7-5+/t26-,29-,30+,31+/m1/s1
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n/an/a 22.5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168312
PNG
(2-{4-[(16R,20S)-18-((S)-Carbamoylmethyl)-9-carboxy...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(cc3)C(C(O)=O)C(O)=O)ccc2c1 |t:36|
Show InChI InChI=1S/C40H47N5O10/c1-23-8-13-31-27(18-23)14-17-45(31)22-24-6-5-7-28(25-9-11-26(12-10-25)34(37(51)52)38(53)54)29(19-33(47)48)35(49)44-40(15-3-2-4-16-40)39(55)43-30(20-32(41)46)36(50)42-21-24/h5,7-14,17-18,24,28-30,34H,2-4,6,15-16,19-22H2,1H3,(H2,41,46)(H,42,50)(H,43,55)(H,44,49)(H,47,48)(H,51,52)(H,53,54)/b7-5+/t24-,28-,29+,30+/m1/s1
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n/an/an/a 3.62n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Dissociation constant value against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168315
PNG
(CHEMBL363597 | [(7S,14R,18S)-18-Carbamoylmethyl-14...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(cc3)[N+]([O-])=O)ccc2c1 |t:36|
Show InChI InChI=1S/C37H44N6O8/c1-23-8-13-31-26(18-23)14-17-42(31)22-24-6-5-7-28(25-9-11-27(12-10-25)43(50)51)29(19-33(45)46)34(47)41-37(15-3-2-4-16-37)36(49)40-30(20-32(38)44)35(48)39-21-24/h5,7-14,17-18,24,28-30H,2-4,6,15-16,19-22H2,1H3,(H2,38,44)(H,39,48)(H,40,49)(H,41,47)(H,45,46)/b7-5+/t24-,28-,29+,30+/m1/s1
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n/an/an/a>1.00E+3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Dissociation constant value against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50139762
PNG
(CHEMBL349373 | [(16R,20S)-18-((S)-Carbamoylmethyl)...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(O)(O)=O)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C38H48N5O9P/c1-24-8-13-32-28(18-24)14-17-43(32)22-26-6-5-7-29(27-11-9-25(10-12-27)23-53(50,51)52)30(19-34(45)46)35(47)42-38(15-3-2-4-16-38)37(49)41-31(20-33(39)44)36(48)40-21-26/h5,7-14,17-18,26,29-31H,2-4,6,15-16,19-23H2,1H3,(H2,39,44)(H,40,48)(H,41,49)(H,42,47)(H,45,46)(H2,50,51,52)/b7-5+/t26-,29-,30+,31+/m1/s1
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n/an/an/a 1.47n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Dissociation constant value against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168317
PNG
(CHEMBL193281 | [(15R,20S)-10-[4-(Benzyl-hydroxy-ph...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(O)(=O)Cc4ccccc4)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C45H54N5O8P/c1-30-13-18-39-35(23-30)19-22-50(39)27-33-11-8-12-36(34-16-14-32(15-17-34)29-59(57,58)28-31-9-4-2-5-10-31)37(24-41(52)53)42(54)49-45(20-6-3-7-21-45)44(56)48-38(25-40(46)51)43(55)47-26-33/h2,4-5,8-10,12-19,22-23,33,36-38H,3,6-7,11,20-21,24-29H2,1H3,(H2,46,51)(H,47,55)(H,48,56)(H,49,54)(H,52,53)(H,57,58)/b12-8+/t33-,36-,37+,38+/m1/s1
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n/an/an/a 35.3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Dissociation constant value against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168313
PNG
(CHEMBL191718 | [(7S,14R,18S)-18-Carbamoylmethyl-10...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(O)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C37H45N5O7/c1-23-8-13-31-26(18-23)14-17-42(31)22-24-6-5-7-28(25-9-11-27(43)12-10-25)29(19-33(45)46)34(47)41-37(15-3-2-4-16-37)36(49)40-30(20-32(38)44)35(48)39-21-24/h5,7-14,17-18,24,28-30,43H,2-4,6,15-16,19-22H2,1H3,(H2,38,44)(H,39,48)(H,40,49)(H,41,47)(H,45,46)/b7-5+/t24-,28-,29+,30+/m1/s1
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n/an/an/a>1.00E+3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Dissociation constant value against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168314
PNG
(CHEMBL193015 | [(7S,14R,18S)-18-Carbamoylmethyl-10...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CC(O)=O)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C39H47N5O8/c1-24-8-13-32-28(18-24)14-17-44(32)23-26-6-5-7-29(27-11-9-25(10-12-27)19-34(46)47)30(20-35(48)49)36(50)43-39(15-3-2-4-16-39)38(52)42-31(21-33(40)45)37(51)41-22-26/h5,7-14,17-18,26,29-31H,2-4,6,15-16,19-23H2,1H3,(H2,40,45)(H,41,51)(H,42,52)(H,43,50)(H,46,47)(H,48,49)/b7-5+/t26-,29-,30+,31+/m1/s1
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n/an/an/a 33n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Dissociation constant value against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168316
PNG
(CHEMBL263328 | N-{4-[(7S,14R,18S)-18-Carbamoylmeth...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(NC(=O)C(O)=O)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C39H46N6O9/c1-23-8-13-31-26(18-23)14-17-45(31)22-24-6-5-7-28(25-9-11-27(12-10-25)42-36(51)37(52)53)29(19-33(47)48)34(49)44-39(15-3-2-4-16-39)38(54)43-30(20-32(40)46)35(50)41-21-24/h5,7-14,17-18,24,28-30H,2-4,6,15-16,19-22H2,1H3,(H2,40,46)(H,41,50)(H,42,51)(H,43,54)(H,44,49)(H,47,48)(H,52,53)/b7-5+/t24-,28-,29+,30+/m1/s1
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n/an/an/a 67n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Dissociation constant value against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50168318
PNG
(CHEMBL424823 | [(15R,20S)-18-Carbamoylmethyl-10-[4...)
Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(C)(O)=O)cc3)ccc2c1 |t:36|
Show InChI InChI=1S/C39H50N5O8P/c1-25-9-14-33-29(19-25)15-18-44(33)23-27-7-6-8-30(28-12-10-26(11-13-28)24-53(2,51)52)31(20-35(46)47)36(48)43-39(16-4-3-5-17-39)38(50)42-32(21-34(40)45)37(49)41-22-27/h6,8-15,18-19,27,30-32H,3-5,7,16-17,20-24H2,1-2H3,(H2,40,45)(H,41,49)(H,42,50)(H,43,48)(H,46,47)(H,51,52)/b8-6+/t27-,30-,31+,32+/m1/s1
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n/an/an/a 16.2n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Dissociation constant value against growth factor receptor bound protein 2

J Med Chem 48: 3945-8 (2005)


Article DOI: 10.1021/jm050059m
BindingDB Entry DOI: 10.7270/Q2V69J48
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%