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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'greer' and Initial = 'af'   
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


(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
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
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))
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))
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))
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))
BDBM50313564
PNG
(3-(6-(4-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1C[C@@H]2C[C@H]1CO2 |r|
Show InChI InChI=1S/C31H35ClN6O3/c1-18-11-22(37-9-6-21(7-10-37)38-16-24-13-23(38)17-41-24)14-26-29(18)36-30(35-26)28-25(5-8-33-31(28)40)34-15-27(39)19-3-2-4-20(32)12-19/h2-5,8,11-12,14,21,23-24,27,39H,6-7,9-10,13,15-17H2,1H3,(H,35,36)(H2,33,34,40)/t23-,24-,27+/m0/s1
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n/an/a 29n/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))
BDBM50313557
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)N1CCNCC1 |r|
Show InChI InChI=1S/C25H27ClN6O2/c1-15-11-18(32-9-7-27-8-10-32)13-20-23(15)31-24(30-20)22-19(5-6-28-25(22)34)29-14-21(33)16-3-2-4-17(26)12-16/h2-6,11-13,21,27,33H,7-10,14H2,1H3,(H,30,31)(H2,28,29,34)/t21-/m1/s1
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n/an/a 32n/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))
BDBM50325429
PNG
(2-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1...)
Show SMILES Fc1ccc(NC(=O)C2=C(CCC2)c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |t:8|
Show InChI InChI=1S/C23H21FN8O/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/h2,5,8-13H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)
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n/an/a 32n/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))
BDBM50313559
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(CCF)CC1 |r|
Show InChI InChI=1S/C27H30ClFN6O2/c1-17-13-20(35-11-9-34(8-6-29)10-12-35)15-22-25(17)33-26(32-22)24-21(5-7-30-27(24)37)31-16-23(36)18-3-2-4-19(28)14-18/h2-5,7,13-15,23,36H,6,8-12,16H2,1H3,(H,32,33)(H2,30,31,37)/t23-/m1/s1
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n/an/a 32n/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))
BDBM50234509
PNG
(4-(2-(5-chloro-1-methyl-1H-imidazol-4-yl)ethylamin...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2ncn(C)c2Cl)cc[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C23H26ClN7O2/c1-14-11-15(31-7-9-33-10-8-31)12-18-20(14)29-22(28-18)19-16(3-6-26-23(19)32)25-5-4-17-21(24)30(2)13-27-17/h3,6,11-13H,4-5,7-10H2,1-2H3,(H,28,29)(H2,25,26,32)
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n/an/a 38n/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))
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 40n/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
3D
3D Structure (crystal)
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50313561
PNG
(3-(6-((S)-3-aminopyrrolidin-1-yl)-4-methyl-1H-benz...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C25H27ClN6O2/c1-14-9-18(32-8-6-17(27)13-32)11-20-23(14)31-24(30-20)22-19(5-7-28-25(22)34)29-12-21(33)15-3-2-4-16(26)10-15/h2-5,7,9-11,17,21,33H,6,8,12-13,27H2,1H3,(H,30,31)(H2,28,29,34)/t17-,21+/m0/s1
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n/an/a 42n/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))
BDBM50252293
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)N1CCC(CC1)N1CCOCC1 |r|
Show InChI InChI=1S/C30H35ClN6O3/c1-19-15-23(36-9-6-22(7-10-36)37-11-13-40-14-12-37)17-25-28(19)35-29(34-25)27-24(5-8-32-30(27)39)33-18-26(38)20-3-2-4-21(31)16-20/h2-5,8,15-17,22,26,38H,6-7,9-14,18H2,1H3,(H,34,35)(H2,32,33,39)/t26-/m1/s1
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n/an/a 45n/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))
BDBM50252236
PNG
((S)-N-(1-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethyla...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C30H33ClN6O3/c1-17-13-22(37-11-8-21(9-12-37)34-29(39)18-5-6-18)15-24-27(17)36-28(35-24)26-23(7-10-32-30(26)40)33-16-25(38)19-3-2-4-20(31)14-19/h2-4,7,10,13-15,18,21,25,38H,5-6,8-9,11-12,16H2,1H3,(H,34,39)(H,35,36)(H2,32,33,40)/t25-/m1/s1
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n/an/a 50n/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))
BDBM50234524
PNG
(CHEMBL256908 | ethyl 1-(2-(3-(4-methyl-6-morpholin...)
Show SMILES CCOC(=O)c1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1
Show InChI InChI=1S/C25H29N7O4/c1-3-36-25(34)17-14-28-32(15-17)7-6-26-19-4-5-27-24(33)21(19)23-29-20-13-18(12-16(2)22(20)30-23)31-8-10-35-11-9-31/h4-5,12-15H,3,6-11H2,1-2H3,(H,29,30)(H2,26,27,33)
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n/an/a 68n/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))
BDBM50313560
PNG
(3-(6-((R)-3-aminopyrrolidin-1-yl)-4-methyl-1H-benz...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H27ClN6O2/c1-14-9-18(32-8-6-17(27)13-32)11-20-23(14)31-24(30-20)22-19(5-7-28-25(22)34)29-12-21(33)15-3-2-4-16(26)10-15/h2-5,7,9-11,17,21,33H,6,8,12-13,27H2,1H3,(H,30,31)(H2,28,29,34)/t17-,21-/m1/s1
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n/an/a 71n/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))
BDBM50234518
PNG
(4-(2-(5-bromo-1-methyl-1H-imidazol-4-yl)ethylamino...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2ncn(C)c2Br)cc[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C23H26BrN7O2/c1-14-11-15(31-7-9-33-10-8-31)12-18-20(14)29-22(28-18)19-16(3-6-26-23(19)32)25-5-4-17-21(24)30(2)13-27-17/h3,6,11-13H,4-5,7-10H2,1-2H3,(H,28,29)(H2,25,26,32)
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n/an/a 75n/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))
BDBM50252193
PNG
(4-((S)-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)N1CCC2(CC1)OCCO2 |r|
Show InChI InChI=1S/C28H30ClN5O4/c1-17-13-20(34-9-6-28(7-10-34)37-11-12-38-28)15-22-25(17)33-26(32-22)24-21(5-8-30-27(24)36)31-16-23(35)18-3-2-4-19(29)14-18/h2-5,8,13-15,23,35H,6-7,9-12,16H2,1H3,(H,32,33)(H2,30,31,36)/t23-/m1/s1
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n/an/a 75n/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))
BDBM50252301
PNG
((S)-methyl 4-(1-(2-(4-(2-(3-chlorophenyl)-2-hydrox...)
Show SMILES COC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C32H38ClN7O4/c1-20-16-24(38-10-7-23(8-11-38)39-12-14-40(15-13-39)32(43)44-2)18-26-29(20)37-30(36-26)28-25(6-9-34-31(28)42)35-19-27(41)21-4-3-5-22(33)17-21/h3-6,9,16-18,23,27,41H,7-8,10-15,19H2,1-2H3,(H,36,37)(H2,34,35,42)/t27-/m1/s1
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n/an/a 82n/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))
BDBM50234505
PNG
(4-(2-(5-chloro-1-ethyl-1H-imidazol-4-yl)ethylamino...)
Show SMILES CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1Cl
Show InChI InChI=1S/C24H28ClN7O2/c1-3-31-14-28-18(22(31)25)5-6-26-17-4-7-27-24(33)20(17)23-29-19-13-16(12-15(2)21(19)30-23)32-8-10-34-11-9-32/h4,7,12-14H,3,5-6,8-11H2,1-2H3,(H,29,30)(H2,26,27,33)
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n/an/a 83n/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))
BDBM50234522
PNG
(CHEMBL256909 | methyl 1-(2-(3-(4-methyl-6-morpholi...)
Show SMILES COC(=O)c1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1
Show InChI InChI=1S/C24H27N7O4/c1-15-11-17(30-7-9-35-10-8-30)12-19-21(15)29-22(28-19)20-18(3-4-26-23(20)32)25-5-6-31-14-16(13-27-31)24(33)34-2/h3-4,11-14H,5-10H2,1-2H3,(H,28,29)(H2,25,26,32)
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n/an/a 91n/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))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 100n/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))
BDBM50234521
PNG
(4-(2-(4-methyl-1H-pyrazol-1-yl)ethylamino)-3-(4-me...)
Show SMILES Cc1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1
Show InChI InChI=1S/C23H27N7O2/c1-15-13-26-30(14-15)6-5-24-18-3-4-25-23(31)20(18)22-27-19-12-17(11-16(2)21(19)28-22)29-7-9-32-10-8-29/h3-4,11-14H,5-10H2,1-2H3,(H,27,28)(H2,24,25,31)
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n/an/a 110n/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))
BDBM50234513
PNG
(4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(4-me...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C22H24ClN7O2/c1-14-10-16(29-6-8-32-9-7-29)11-18-20(14)28-21(27-18)19-17(2-3-25-22(19)31)24-4-5-30-13-15(23)12-26-30/h2-3,10-13H,4-9H2,1H3,(H,27,28)(H2,24,25,31)
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n/an/a 120n/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))
BDBM50234519
PNG
(4-(2-(2,5-dichloro-1-methyl-1H-imidazol-4-yl)ethyl...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2nc(Cl)n(C)c2Cl)cc[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C23H25Cl2N7O2/c1-13-11-14(32-7-9-34-10-8-32)12-17-19(13)30-21(28-17)18-15(3-6-27-22(18)33)26-5-4-16-20(24)31(2)23(25)29-16/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,28,30)(H2,26,27,33)
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n/an/a 160n/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))
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 162n/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
3D
3D Structure (crystal)
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50234503
PNG
(4-(2-(1-methyl-1H-imidazol-4-yl)ethylamino)-3-(4-m...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2cn(C)cn2)cc[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C23H27N7O2/c1-15-11-17(30-7-9-32-10-8-30)12-19-21(15)28-22(27-19)20-18(4-6-25-23(20)31)24-5-3-16-13-29(2)14-26-16/h4,6,11-14H,3,5,7-10H2,1-2H3,(H,27,28)(H2,24,25,31)
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n/an/a 190n/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))
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 206n/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))
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 206n/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))
BDBM50325429
PNG
(2-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1...)
Show SMILES Fc1ccc(NC(=O)C2=C(CCC2)c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |t:8|
Show InChI InChI=1S/C23H21FN8O/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/h2,5,8-13H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)
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n/an/a 237n/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))
BDBM50234501
PNG
(4-(2-(5-chloro-1-(2-methoxyethyl)-1H-imidazol-4-yl...)
Show SMILES COCCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1Cl
Show InChI InChI=1S/C25H30ClN7O3/c1-16-13-17(32-8-11-36-12-9-32)14-20-22(16)31-24(30-20)21-18(3-6-28-25(21)34)27-5-4-19-23(26)33(15-29-19)7-10-35-2/h3,6,13-15H,4-5,7-12H2,1-2H3,(H,30,31)(H2,27,28,34)
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n/an/a 290n/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))
BDBM50234526
PNG
(4-(2-(1H-pyrazol-1-yl)ethylamino)-3-(4-methyl-6-mo...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cccn2)cc[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C22H25N7O2/c1-15-13-16(28-9-11-31-12-10-28)14-18-20(15)27-21(26-18)19-17(3-5-24-22(19)30)23-6-8-29-7-2-4-25-29/h2-5,7,13-14H,6,8-12H2,1H3,(H,26,27)(H2,23,24,30)
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n/an/a 330n/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))
BDBM50313562
PNG
((S)-tert-butyl 1-(2-(4-(2-(3-chlorophenyl)-2-hydro...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C31H37ClN6O4/c1-18-14-22(38-12-9-21(10-13-38)35-30(41)42-31(2,3)4)16-24-27(18)37-28(36-24)26-23(8-11-33-29(26)40)34-17-25(39)19-6-5-7-20(32)15-19/h5-8,11,14-16,21,25,39H,9-10,12-13,17H2,1-4H3,(H,35,41)(H,36,37)(H2,33,34,40)/t25-/m1/s1
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n/an/a 330n/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))
BDBM50234520
PNG
(4-(2-(1-isopropyl-1H-imidazol-4-yl)ethylamino)-3-(...)
Show SMILES CC(C)n1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1
Show InChI InChI=1S/C25H31N7O2/c1-16(2)32-14-18(28-15-32)4-6-26-20-5-7-27-25(33)22(20)24-29-21-13-19(12-17(3)23(21)30-24)31-8-10-34-11-9-31/h5,7,12-16H,4,6,8-11H2,1-3H3,(H,29,30)(H2,26,27,33)
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n/an/a 360n/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))
BDBM50234517
PNG
(4-(2-(5-chloro-1-isopropyl-1H-imidazol-4-yl)ethyla...)
Show SMILES CC(C)n1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1Cl
Show InChI InChI=1S/C25H30ClN7O2/c1-15(2)33-14-29-19(23(33)26)5-6-27-18-4-7-28-25(34)21(18)24-30-20-13-17(12-16(3)22(20)31-24)32-8-10-35-11-9-32/h4,7,12-15H,5-6,8-11H2,1-3H3,(H,30,31)(H2,27,28,34)
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n/an/a 360n/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))
BDBM50313563
PNG
(CHEMBL1077325 | tert-butyl(S)-1-(2-(4-((S)-2-(3-ch...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CC[C@@H](C1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C30H35ClN6O4/c1-17-12-21(37-11-9-20(16-37)34-29(40)41-30(2,3)4)14-23-26(17)36-27(35-23)25-22(8-10-32-28(25)39)33-15-24(38)18-6-5-7-19(31)13-18/h5-8,10,12-14,20,24,38H,9,11,15-16H2,1-4H3,(H,34,40)(H,35,36)(H2,32,33,39)/t20-,24+/m0/s1
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n/an/a 410n/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))
BDBM50234511
PNG
(4-(2-(1-ethyl-1H-imidazol-4-yl)ethylamino)-3-(4-me...)
Show SMILES CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1
Show InChI InChI=1S/C24H29N7O2/c1-3-30-14-17(27-15-30)4-6-25-19-5-7-26-24(32)21(19)23-28-20-13-18(12-16(2)22(20)29-23)31-8-10-33-11-9-31/h5,7,12-15H,3-4,6,8-11H2,1-2H3,(H,28,29)(H2,25,26,32)
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n/an/a 480n/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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50313564
PNG
(3-(6-(4-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1C[C@@H]2C[C@H]1CO2 |r|
Show InChI InChI=1S/C31H35ClN6O3/c1-18-11-22(37-9-6-21(7-10-37)38-16-24-13-23(38)17-41-24)14-26-29(18)36-30(35-26)28-25(5-8-33-31(28)40)34-15-27(39)19-3-2-4-20(32)12-19/h2-5,8,11-12,14,21,23-24,27,39H,6-7,9-10,13,15-17H2,1H3,(H,35,36)(H2,33,34,40)/t23-,24-,27+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 20 mins by BFC fluorescence assay


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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 20 mins by BFC fluorescence assay


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))
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 508n/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))
BDBM50234507
PNG
(4-(2-(1-(2-methoxyethyl)-1H-imidazol-4-yl)ethylami...)
Show SMILES COCCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1
Show InChI InChI=1S/C25H31N7O3/c1-17-13-19(32-8-11-35-12-9-32)14-21-23(17)30-24(29-21)22-20(4-6-27-25(22)33)26-5-3-18-15-31(16-28-18)7-10-34-2/h4,6,13-16H,3,5,7-12H2,1-2H3,(H,29,30)(H2,26,27,33)
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n/an/a 550n/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))
BDBM50234516
PNG
(1-(2-(3-(4-methyl-6-morpholino-1H-benzo[d]imidazol...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(cn2)C#N)cc[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C23H24N8O2/c1-15-10-17(30-6-8-33-9-7-30)11-19-21(15)29-22(28-19)20-18(2-3-26-23(20)32)25-4-5-31-14-16(12-24)13-27-31/h2-3,10-11,13-14H,4-9H2,1H3,(H,28,29)(H2,25,26,32)
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n/an/a 680n/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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50252236
PNG
((S)-N-(1-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethyla...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C30H33ClN6O3/c1-17-13-22(37-11-8-21(9-12-37)34-29(39)18-5-6-18)15-24-27(17)36-28(35-24)26-23(7-10-32-30(26)40)33-16-25(38)19-3-2-4-20(31)14-19/h2-4,7,10,13-15,18,21,25,38H,5-6,8-9,11-12,16H2,1H3,(H,34,39)(H,35,36)(H2,32,33,40)/t25-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 20 mins by BFC fluorescence assay


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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50252193
PNG
(4-((S)-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)N1CCC2(CC1)OCCO2 |r|
Show InChI InChI=1S/C28H30ClN5O4/c1-17-13-20(34-9-6-28(7-10-34)37-11-12-38-28)15-22-25(17)33-26(32-22)24-21(5-8-30-27(24)36)31-16-23(35)18-3-2-4-19(29)14-18/h2-5,8,13-15,23,35H,6-7,9-12,16H2,1H3,(H,32,33)(H2,30,31,36)/t23-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 20 mins by BFC fluorescence assay


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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50313566
PNG
(CHEMBL1077343 | methyl 4-(1-(2-(4-(2-(5-chloro-1-m...)
Show SMILES COC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCc2ncn(C)c2Cl)cc[nH]c1=O
Show InChI InChI=1S/C30H38ClN9O3/c1-19-16-21(38-10-6-20(7-11-38)39-12-14-40(15-13-39)30(42)43-3)17-24-26(19)36-28(35-24)25-22(4-9-33-29(25)41)32-8-5-23-27(31)37(2)18-34-23/h4,9,16-18,20H,5-8,10-15H2,1-3H3,(H,35,36)(H2,32,33,41)
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n/an/a 700n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 20 mins by BFC fluorescence assay


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
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