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Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'carboni' and Initial = 'jm'   
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
Insulin-like growth factor 1 receptor


(Rattus norvegicus)
BDBM50318112
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES COCCN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C28H33ClN6O3/c1-18-14-21(35-10-8-34(9-11-35)12-13-38-2)16-23-26(18)33-27(32-23)25-22(6-7-30-28(25)37)31-17-24(36)19-4-3-5-20(29)15-19/h3-7,14-16,24,36H,8-13,17H2,1-2H3,(H,32,33)(H2,30,31,37)/t24-/m1/s1
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of rat IGF1R


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048982
PNG
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propi...)
Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC(=O)[C@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C23H36N4O4S2/c1-14(2)19(26-21(28)17(24)13-32)12-27-11-16-7-5-4-6-15(16)10-20(27)22(29)25-18(23(30)31)8-9-33-3/h4-7,14,17-20,32H,8-13,24H2,1-3H3,(H,25,29)(H,26,28)(H,30,31)/t17-,18-,19+,20-/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048970
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC(C)(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCS(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C24H38N4O6S2/c1-24(2,3)20(26-12-17(25)14-35)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-36(4,33)34/h5-8,17-20,26,35H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048963
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O4S2/c1-24(2,3)20(26-12-17(25)14-33)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-34-4/h5-8,17-20,26,33H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 0.570n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048972
PNG
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propy...)
Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](NC[C@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C23H36N4O4S2/c1-14(2)20(25-11-17(24)13-32)22(29)27-12-16-7-5-4-6-15(16)10-19(27)21(28)26-18(23(30)31)8-9-33-3/h4-7,14,17-20,25,32H,8-13,24H2,1-3H3,(H,26,28)(H,30,31)/t17-,18+,19+,20+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048967
PNG
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propy...)
Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC[C@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C23H38N4O3S2/c1-15(2)20(25-11-18(24)14-31)13-27-12-17-7-5-4-6-16(17)10-21(27)22(28)26-19(23(29)30)8-9-32-3/h4-7,15,18-21,25,31H,8-14,24H2,1-3H3,(H,26,28)(H,29,30)/t18-,19+,20-,21+/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048964
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCS(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C23H36N4O6S2/c1-14(2)20(25-11-17(24)13-34)22(29)27-12-16-7-5-4-6-15(16)10-19(27)21(28)26-18(23(30)31)8-9-35(3,32)33/h4-7,14,17-20,25,34H,8-13,24H2,1-3H3,(H,26,28)(H,30,31)/t17-,18-,19+,20+/m1/s1
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n/an/a 0.920n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50325424
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES Fc1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc([nH]n3)C3CC3)c3cccn3n2)cn1 |r|
Show InChI InChI=1S/C22H22FN9O/c23-18-8-7-14(12-24-18)25-21(33)17-4-1-9-31(17)22-27-20(16-3-2-10-32(16)30-22)26-19-11-15(28-29-19)13-5-6-13/h2-3,7-8,10-13,17H,1,4-6,9H2,(H,25,33)(H2,26,27,28,29,30)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGF1R in IGF1R-SAL cells


Bioorg Med Chem Lett 20: 5027-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.045
BindingDB Entry DOI: 10.7270/Q2WH2Q5J
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048981
PNG
((S)-2-({(R)-2-[(S)-2-((R)-3-Mercapto-2-methyl-prop...)
Show SMILES CSCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@@H](C)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H35N3O5S2/c1-14(2)20(26-21(28)15(3)13-33)23(30)27-12-17-8-6-5-7-16(17)11-19(27)22(29)25-18(24(31)32)9-10-34-4/h5-8,14-15,18-20,33H,9-13H2,1-4H3,(H,25,29)(H,26,28)(H,31,32)/t15-,18-,19+,20-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50048966
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O4S/c1-4-5-10-19(24(31)32)27-22(29)20-11-16-8-6-7-9-17(16)13-28(20)23(30)21(15(2)3)26-12-18(25)14-33/h6-9,15,18-21,26,33H,4-5,10-14,25H2,1-3H3,(H,27,29)(H,31,32)/t18-,19-,20+,21+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048968
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES COCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O5S/c1-24(2,3)20(26-12-17(25)14-34)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-33-4/h5-8,17-20,26,34H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048969
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CN(C)C(=O)CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C26H41N5O5S/c1-26(2,3)22(28-13-18(27)15-37)24(34)31-14-17-9-7-6-8-16(17)12-20(31)23(33)29-19(25(35)36)10-11-21(32)30(4)5/h6-9,18-20,22,28,37H,10-15,27H2,1-5H3,(H,29,33)(H,35,36)/t18-,19-,20+,22-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2


(Homo sapiens (Human))
BDBM50299138
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES NC(=O)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|
Show InChI InChI=1S/C17H20N8O/c18-15(26)12-3-1-7-24(12)17-20-16(13-4-2-8-25(13)23-17)19-14-9-11(21-22-14)10-5-6-10/h2,4,8-10,12H,1,3,5-7H2,(H2,18,26)(H2,19,20,21,22,23)/t12-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50299148
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of IGF1R after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50299143
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES O=C(Nc1nccs1)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|
Show InChI InChI=1S/C20H21N9OS/c30-18(24-20-21-7-10-31-20)15-4-1-8-28(15)19-23-17(14-3-2-9-29(14)27-19)22-16-11-13(25-26-16)12-5-6-12/h2-3,7,9-12,15H,1,4-6,8H2,(H,21,24,30)(H2,22,23,25,26,27)/t15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of IGF1R after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50299148
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGF1R in IGF1R-SAL cells


Bioorg Med Chem Lett 20: 5027-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.045
BindingDB Entry DOI: 10.7270/Q2WH2Q5J
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50325424
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES Fc1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc([nH]n3)C3CC3)c3cccn3n2)cn1 |r|
Show InChI InChI=1S/C22H22FN9O/c23-18-8-7-14(12-24-18)25-21(33)17-4-1-9-31(17)22-27-20(16-3-2-10-32(16)30-22)26-19-11-15(28-29-19)13-5-6-13/h2-3,7-8,10-13,17H,1,4-6,9H2,(H,25,33)(H2,26,27,28,29,30)/t17-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 5027-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.045
BindingDB Entry DOI: 10.7270/Q2WH2Q5J
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048974
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC(C)(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C24H37N5O5S/c1-24(2,3)20(27-11-16(25)13-35)22(32)29-12-15-7-5-4-6-14(15)10-18(29)21(31)28-17(23(33)34)8-9-19(26)30/h4-7,16-18,20,27,35H,8-13,25H2,1-3H3,(H2,26,30)(H,28,31)(H,33,34)/t16-,17-,18+,20-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM107003
PNG
(CHEMBL575447 | US8592579, 110)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1cnccn1 |r|
Show InChI InChI=1S/C22H24N10O/c1-22(20(33)26-18-13-23-8-9-24-18)7-3-10-31(22)21-27-19(16-4-2-11-32(16)30-21)25-17-12-15(28-29-17)14-5-6-14/h2,4,8-9,11-14H,3,5-7,10H2,1H3,(H,24,26,33)(H2,25,27,28,29,30)/t22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of IGF1R after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50299145
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C21H23N9OS/c1-21(18(31)25-20-22-8-11-32-20)7-3-9-29(21)19-24-17(15-4-2-10-30(15)28-19)23-16-12-14(26-27-16)13-5-6-13/h2,4,8,10-13H,3,5-7,9H2,1H3,(H,22,25,31)(H2,23,24,26,27,28)/t21-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of IGF1R after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048975
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C23H35N5O5S/c1-13(2)20(26-10-16(24)12-34)22(31)28-11-15-6-4-3-5-14(15)9-18(28)21(30)27-17(23(32)33)7-8-19(25)29/h3-6,13,16-18,20,26,34H,7-12,24H2,1-2H3,(H2,25,29)(H,27,30)(H,32,33)/t16-,17-,18+,20+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50048963
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O4S2/c1-24(2,3)20(26-12-17(25)14-33)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-34-4/h5-8,17-20,26,33H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50325430
PNG
(CHEMBL1222855 | N-((4-(5-cyclopropyl-1H-pyrazol-3-...)
Show SMILES Fc1ccc(cn1)C(=O)NCc1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1
Show InChI InChI=1S/C19H17FN8O/c20-15-6-5-12(9-21-15)19(29)22-10-17-24-18(14-2-1-7-28(14)27-17)23-16-8-13(25-26-16)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,22,29)(H2,23,24,25,26,27)
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n/an/a 5.30n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 5027-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.045
BindingDB Entry DOI: 10.7270/Q2WH2Q5J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50299146
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C23H25N9O/c1-23(21(33)25-16-5-2-10-24-14-16)9-4-11-31(23)22-27-20(18-6-3-12-32(18)30-22)26-19-13-17(28-29-19)15-7-8-15/h2-3,5-6,10,12-15H,4,7-9,11H2,1H3,(H,25,33)(H2,26,27,28,29,30)/t23-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of IGF1R after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50325425
PNG
((S)-(2-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrr...)
Show SMILES Fc1ccc(cn1)C(=O)N1CCC[C@H]1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r|
Show InChI InChI=1S/C22H21FN8O/c23-18-8-7-14(12-24-18)22(32)30-9-1-3-16(30)21-26-20(17-4-2-10-31(17)29-21)25-19-11-15(27-28-19)13-5-6-13/h2,4,7-8,10-13,16H,1,3,5-6,9H2,(H2,25,26,27,28,29)/t16-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 5027-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.045
BindingDB Entry DOI: 10.7270/Q2WH2Q5J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50299148
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 5027-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.045
BindingDB Entry DOI: 10.7270/Q2WH2Q5J
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50299144
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES O=C(Nc1cccnc1)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|
Show InChI InChI=1S/C22H23N9O/c32-21(24-15-4-1-9-23-13-15)18-6-2-10-30(18)22-26-20(17-5-3-11-31(17)29-22)25-19-12-16(27-28-19)14-7-8-14/h1,3-5,9,11-14,18H,2,6-8,10H2,(H,24,32)(H2,25,26,27,28,29)/t18-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of IGF1R after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50325428
PNG
(CHEMBL1222791 | trans-2-(4-(5-cyclopropyl-1H-pyraz...)
Show SMILES Fc1ccc(NC(=O)[C@@H]2CCC[C@H]2c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |r|
Show InChI InChI=1S/C23H23FN8O/c24-19-9-8-14(12-25-19)26-23(33)16-4-1-3-15(16)21-28-22(18-5-2-10-32(18)31-21)27-20-11-17(29-30-20)13-6-7-13/h2,5,8-13,15-16H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)/t15-,16-/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 5027-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.045
BindingDB Entry DOI: 10.7270/Q2WH2Q5J
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50325428
PNG
(CHEMBL1222791 | trans-2-(4-(5-cyclopropyl-1H-pyraz...)
Show SMILES Fc1ccc(NC(=O)[C@@H]2CCC[C@H]2c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |r|
Show InChI InChI=1S/C23H23FN8O/c24-19-9-8-14(12-25-19)26-23(33)16-4-1-3-15(16)21-28-22(18-5-2-10-32(18)31-21)27-20-11-17(29-30-20)13-6-7-13/h2,5,8-13,15-16H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)/t15-,16-/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 5027-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.045
BindingDB Entry DOI: 10.7270/Q2WH2Q5J
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50325427
PNG
((S)-5-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES Fc1ccc(cn1)C(=O)N1[C@@H](CCC1=O)c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r|
Show InChI InChI=1S/C22H19FN8O2/c23-17-7-5-13(11-24-17)22(33)31-16(6-8-19(31)32)21-26-20(15-2-1-9-30(15)29-21)25-18-10-14(27-28-18)12-3-4-12/h1-2,5,7,9-12,16H,3-4,6,8H2,(H2,25,26,27,28,29)/t16-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 5027-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.045
BindingDB Entry DOI: 10.7270/Q2WH2Q5J
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50299140
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES O=C(Nc1ccccc1)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|
Show InChI InChI=1S/C23H24N8O/c32-22(24-16-6-2-1-3-7-16)19-9-4-12-30(19)23-26-21(18-8-5-13-31(18)29-23)25-20-14-17(27-28-20)15-10-11-15/h1-3,5-8,13-15,19H,4,9-12H2,(H,24,32)(H2,25,26,27,28,29)/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of IGF1R after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Mus musculus)
BDBM50299148
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of IGF1R phosphorylation in mouse Sal cells by western blotting


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50048970
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC(C)(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCS(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C24H38N4O6S2/c1-24(2,3)20(26-12-17(25)14-35)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-36(4,33)34/h5-8,17-20,26,35H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048983
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCSC)C(O)=O
Show InChI InChI=1S/C22H34N4O4S2/c1-3-17(24-11-16(23)13-31)21(28)26-12-15-7-5-4-6-14(15)10-19(26)20(27)25-18(22(29)30)8-9-32-2/h4-7,16-19,24,31H,3,8-13,23H2,1-2H3,(H,25,27)(H,29,30)/t16-,17+,18-,19+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50318122
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCCO)CC1 |r|
Show InChI InChI=1S/C28H33ClN6O3/c1-18-14-21(35-11-9-34(10-12-35)8-3-13-36)16-23-26(18)33-27(32-23)25-22(6-7-30-28(25)38)31-17-24(37)19-4-2-5-20(29)15-19/h2,4-7,14-16,24,36-37H,3,8-13,17H2,1H3,(H,32,33)(H2,30,31,38)/t24-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50318112
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES COCCN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C28H33ClN6O3/c1-18-14-21(35-10-8-34(9-11-35)12-13-38-2)16-23-26(18)33-27(32-23)25-22(6-7-30-28(25)37)31-17-24(36)19-4-3-5-20(29)15-19/h3-7,14-16,24,36H,8-13,17H2,1-2H3,(H,32,33)(H2,30,31,37)/t24-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50318113
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES CCN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C27H31ClN6O2/c1-3-33-9-11-34(12-10-33)20-13-17(2)25-22(15-20)31-26(32-25)24-21(7-8-29-27(24)36)30-16-23(35)18-5-4-6-19(28)14-18/h4-8,13-15,23,35H,3,9-12,16H2,1-2H3,(H,31,32)(H2,29,30,36)/t23-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM27887
PNG
(4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-...)
Show SMILES COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O
Show InChI InChI=1S/C26H32ClN7O2/c1-17-13-19(18-4-8-33(9-5-18)11-12-36-2)14-22-24(17)32-25(31-22)23-21(3-6-29-26(23)35)28-7-10-34-16-20(27)15-30-34/h3,6,13-16,18H,4-5,7-12H2,1-2H3,(H,31,32)(H2,28,29,35)
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n/an/a 18n/an/an/an/a7.030



Bristol-Myers Squibb Company



Assay Description
The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...


J Med Chem 51: 5897-900 (2008)


Article DOI: 10.1021/jm800832q
BindingDB Entry DOI: 10.7270/Q2513WJK
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM27881
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C29H34ClN5O3/c1-18-14-21(19-7-10-35(11-8-19)12-13-38-2)16-24-27(18)34-28(33-24)26-23(6-9-31-29(26)37)32-17-25(36)20-4-3-5-22(30)15-20/h3-6,9,14-16,19,25,36H,7-8,10-13,17H2,1-2H3,(H,33,34)(H2,31,32,37)/t25-/m1/s1
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n/an/a 18n/an/an/an/a7.030



Bristol-Myers Squibb Company



Assay Description
The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...


J Med Chem 51: 5897-900 (2008)


Article DOI: 10.1021/jm800832q
BindingDB Entry DOI: 10.7270/Q2513WJK
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50313558
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C26H29ClN6O2/c1-16-12-19(33-10-8-32(2)9-11-33)14-21-24(16)31-25(30-21)23-20(6-7-28-26(23)35)29-15-22(34)17-4-3-5-18(27)13-17/h3-7,12-14,22,34H,8-11,15H2,1-2H3,(H,30,31)(H2,28,29,35)/t22-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50313558
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C26H29ClN6O2/c1-16-12-19(33-10-8-32(2)9-11-33)14-21-24(16)31-25(30-21)23-20(6-7-28-26(23)35)29-15-22(34)17-4-3-5-18(27)13-17/h3-7,12-14,22,34H,8-11,15H2,1-2H3,(H,30,31)(H2,28,29,35)/t22-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF-1R tyrosine kinase expressed in baculovirus system assessed as [33gamma]ATP phosphorylation of poly(Glu/Tyr) subs...


Bioorg Med Chem Lett 20: 1744-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.087
BindingDB Entry DOI: 10.7270/Q2MW2H95
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM27884
PNG
(4-{[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyeth...)
Show SMILES COc1ccc(cc1Cl)[C@H](O)CNc1cc[nH]c(=O)c1-c1nc2c(C)cc(cc2[nH]1)C1CCN(CCCF)CC1 |r|
Show InChI InChI=1S/C30H35ClFN5O3/c1-18-14-21(19-7-12-37(13-8-19)11-3-9-32)16-24-28(18)36-29(35-24)27-23(6-10-33-30(27)39)34-17-25(38)20-4-5-26(40-2)22(31)15-20/h4-6,10,14-16,19,25,38H,3,7-9,11-13,17H2,1-2H3,(H,35,36)(H2,33,34,39)/t25-/m1/s1
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n/an/a 20n/an/an/an/a7.030



Bristol-Myers Squibb Company



Assay Description
The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...


J Med Chem 51: 5897-900 (2008)


Article DOI: 10.1021/jm800832q
BindingDB Entry DOI: 10.7270/Q2513WJK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50048968
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES COCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O5S/c1-24(2,3)20(26-12-17(25)14-34)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-33-4/h5-8,17-20,26,34H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM27880
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C27H30ClN5O2/c1-16-12-19(17-7-10-33(2)11-8-17)14-22-25(16)32-26(31-22)24-21(6-9-29-27(24)35)30-15-23(34)18-4-3-5-20(28)13-18/h3-6,9,12-14,17,23,34H,7-8,10-11,15H2,1-2H3,(H,31,32)(H2,29,30,35)/t23-/m1/s1
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n/an/a 22n/an/an/an/a7.030



Bristol-Myers Squibb Company



Assay Description
The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...


J Med Chem 51: 5897-900 (2008)


Article DOI: 10.1021/jm800832q
BindingDB Entry DOI: 10.7270/Q2513WJK
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Mus musculus)
BDBM50299148
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in mouse Sal cells by western blotting


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM27883
PNG
(4-{[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyeth...)
Show SMILES COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2ccc(OC)c(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C30H36ClN5O4/c1-18-14-21(19-7-10-36(11-8-19)12-13-39-2)16-24-28(18)35-29(34-24)27-23(6-9-32-30(27)38)33-17-25(37)20-4-5-26(40-3)22(31)15-20/h4-6,9,14-16,19,25,37H,7-8,10-13,17H2,1-3H3,(H,34,35)(H2,32,33,38)/t25-/m1/s1
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n/an/a 23n/an/an/an/a7.030



Bristol-Myers Squibb Company



Assay Description
The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...


J Med Chem 51: 5897-900 (2008)


Article DOI: 10.1021/jm800832q
BindingDB Entry DOI: 10.7270/Q2513WJK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2


(Homo sapiens (Human))
BDBM50299139
PNG
((R)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES NC(=O)[C@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|
Show InChI InChI=1S/C17H20N8O/c18-15(26)12-3-1-7-24(12)17-20-16(13-4-2-8-25(13)23-17)19-14-9-11(21-22-14)10-5-6-10/h2,4,8-10,12H,1,3,5-7H2,(H2,18,26)(H2,19,20,21,22,23)/t12-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM27886
PNG
(4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)C1CCN(CCO)CC1
Show InChI InChI=1S/C25H30ClN7O2/c1-16-12-18(17-3-7-32(8-4-17)10-11-34)13-21-23(16)31-24(30-21)22-20(2-5-28-25(22)35)27-6-9-33-15-19(26)14-29-33/h2,5,12-15,17,34H,3-4,6-11H2,1H3,(H,30,31)(H2,27,28,35)
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n/an/a 25n/an/an/an/a7.030



Bristol-Myers Squibb Company



Assay Description
The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...


J Med Chem 51: 5897-900 (2008)


Article DOI: 10.1021/jm800832q
BindingDB Entry DOI: 10.7270/Q2513WJK
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50318121
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCO)CC1 |r|
Show InChI InChI=1S/C27H31ClN6O3/c1-17-13-20(34-9-7-33(8-10-34)11-12-35)15-22-25(17)32-26(31-22)24-21(5-6-29-27(24)37)30-16-23(36)18-3-2-4-19(28)14-18/h2-6,13-15,23,35-36H,7-12,16H2,1H3,(H,31,32)(H2,29,30,37)/t23-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM27885
PNG
(4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-[4-...)
Show SMILES CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O
Show InChI InChI=1S/C24H28ClN7O/c1-15-11-17(16-4-8-31(2)9-5-16)12-20-22(15)30-23(29-20)21-19(3-6-27-24(21)33)26-7-10-32-14-18(25)13-28-32/h3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,29,30)(H2,26,27,33)
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Article
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n/an/a 26n/an/an/an/a7.030



Bristol-Myers Squibb Company



Assay Description
The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...


J Med Chem 51: 5897-900 (2008)


Article DOI: 10.1021/jm800832q
BindingDB Entry DOI: 10.7270/Q2513WJK
More data for this
Ligand-Target Pair
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