Found 124 hits with Last Name = 'siu' and Initial = 'kw' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437357
(CHEMBL3037909)Show SMILES CCOc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.21,16.17,wD:18.20,(12.1,-.5,;13.44,-1.27,;13.44,-2.81,;14.77,-3.58,;16.1,-2.81,;17.44,-3.57,;17.45,-5.13,;16.11,-5.9,;16.11,-7.43,;14.79,-8.21,;13.44,-7.44,;13.44,-5.9,;14.77,-5.13,;14.8,-9.75,;16.05,-10.65,;15.58,-12.12,;16.49,-13.36,;18.01,-13.59,;17.77,-15.11,;19.26,-15.51,;18.17,-16.6,;16.26,-14.88,;14.04,-12.13,;13.02,-13.27,;11.51,-12.95,;11.04,-11.49,;12.07,-10.35,;11.59,-8.88,;13.56,-10.67,;18.77,-2.8,;20.11,-3.57,;21.44,-2.8,;21.43,-1.25,;20.09,-.49,;18.76,-1.27,)| Show InChI InChI=1S/C28H27N5O2/c1-3-35-23-14-21(17-7-5-4-6-8-17)31-22-13-18(9-10-20(22)23)24-25-26(29)30-11-12-33(25)27(32-24)19-15-28(2,34)16-19/h4-14,19,34H,3,15-16H2,1-2H3,(H2,29,30)/t19-,28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437358
(CHEMBL3037908)Show SMILES COc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.20,15.16,wD:17.19,(2.3,-.85,;2.3,-2.39,;3.63,-3.16,;4.96,-2.39,;6.3,-3.15,;6.31,-4.71,;4.97,-5.48,;4.97,-7.01,;3.65,-7.79,;2.3,-7.02,;2.3,-5.48,;3.63,-4.71,;3.66,-9.33,;4.91,-10.23,;4.44,-11.7,;5.35,-12.94,;6.87,-13.17,;6.63,-14.69,;8.12,-15.09,;7.03,-16.18,;5.12,-14.46,;2.9,-11.71,;1.88,-12.85,;.37,-12.53,;-.11,-11.07,;.93,-9.93,;.45,-8.46,;2.42,-10.25,;7.63,-2.38,;8.97,-3.15,;10.3,-2.38,;10.29,-.83,;8.94,-.07,;7.62,-.85,)| Show InChI InChI=1S/C27H25N5O2/c1-27(33)14-18(15-27)26-31-23(24-25(28)29-10-11-32(24)26)17-8-9-19-21(12-17)30-20(13-22(19)34-2)16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H2,28,29)/t18-,27+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336325
(CHEMBL1667943 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nccs1 |r,wU:27.31,wD:30.38,(5.48,2.11,;5.49,.57,;4.16,-.2,;4.16,-1.75,;5.49,-2.52,;6.83,-1.74,;8.3,-2.21,;9.2,-.95,;8.29,.29,;9.06,1.62,;8.29,2.94,;9.05,4.28,;10.6,4.28,;11.36,5.6,;12.89,5.61,;13.67,4.27,;12.9,2.95,;11.37,2.95,;10.6,1.61,;11.37,.28,;15.2,4.27,;15.97,2.94,;17.51,2.94,;18.28,4.27,;17.5,5.61,;15.96,5.6,;6.82,-.2,;8.79,-3.67,;10.29,-3.97,;10.77,-5.44,;9.74,-6.59,;8.24,-6.27,;7.76,-4.81,;10.22,-8.05,;9.44,-9.37,;11.76,-8.07,;12.52,-9.41,;12.05,-10.87,;13.3,-11.77,;14.54,-10.87,;14.07,-9.4,)| Show InChI InChI=1S/C31H26FN7OS/c32-24-22(12-10-19-11-13-23(36-25(19)24)18-4-2-1-3-5-18)26-27-28(33)34-14-16-39(27)29(37-26)20-6-8-21(9-7-20)30(40)38-31-35-15-17-41-31/h1-5,10-17,20-21H,6-9H2,(H2,33,34)(H,35,38,40)/t20-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437358
(CHEMBL3037908)Show SMILES COc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.20,15.16,wD:17.19,(2.3,-.85,;2.3,-2.39,;3.63,-3.16,;4.96,-2.39,;6.3,-3.15,;6.31,-4.71,;4.97,-5.48,;4.97,-7.01,;3.65,-7.79,;2.3,-7.02,;2.3,-5.48,;3.63,-4.71,;3.66,-9.33,;4.91,-10.23,;4.44,-11.7,;5.35,-12.94,;6.87,-13.17,;6.63,-14.69,;8.12,-15.09,;7.03,-16.18,;5.12,-14.46,;2.9,-11.71,;1.88,-12.85,;.37,-12.53,;-.11,-11.07,;.93,-9.93,;.45,-8.46,;2.42,-10.25,;7.63,-2.38,;8.97,-3.15,;10.3,-2.38,;10.29,-.83,;8.94,-.07,;7.62,-.85,)| Show InChI InChI=1S/C27H25N5O2/c1-27(33)14-18(15-27)26-31-23(24-25(28)29-10-11-32(24)26)17-8-9-19-21(12-17)30-20(13-22(19)34-2)16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H2,28,29)/t18-,27+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336329
(CHEMBL1667947 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1ccccc1NC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:13.17,wD:10.10,(28.81,-26.74,;28.05,-25.39,;28.84,-24.07,;28.08,-22.73,;26.54,-22.71,;25.76,-24.04,;26.52,-25.37,;25.73,-26.69,;24.19,-26.68,;23.41,-28,;23.71,-25.21,;24.74,-24.06,;24.26,-22.6,;22.75,-22.3,;21.73,-23.44,;22.21,-24.89,;22.27,-20.83,;23.17,-19.58,;22.26,-18.34,;23.03,-17.01,;22.26,-15.69,;23.02,-14.35,;24.57,-14.35,;25.33,-13.03,;26.86,-13.02,;27.63,-14.35,;26.87,-15.68,;25.33,-15.68,;24.57,-17.02,;25.34,-18.35,;29.17,-14.35,;29.94,-15.69,;31.48,-15.69,;32.25,-14.36,;31.47,-13.02,;29.93,-13.02,;20.79,-18.82,;19.46,-18.06,;19.45,-16.52,;18.13,-18.83,;18.13,-20.37,;19.46,-21.15,;20.8,-20.37,)| Show InChI InChI=1S/C34H30FN7O/c35-28-24(16-14-21-15-17-26(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-42(31)33(41-30)22-10-12-23(13-11-22)34(43)40-27-9-5-4-8-25(27)36/h1-9,14-19,22-23H,10-13,36H2,(H2,37,38)(H,40,43)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437357
(CHEMBL3037909)Show SMILES CCOc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.21,16.17,wD:18.20,(12.1,-.5,;13.44,-1.27,;13.44,-2.81,;14.77,-3.58,;16.1,-2.81,;17.44,-3.57,;17.45,-5.13,;16.11,-5.9,;16.11,-7.43,;14.79,-8.21,;13.44,-7.44,;13.44,-5.9,;14.77,-5.13,;14.8,-9.75,;16.05,-10.65,;15.58,-12.12,;16.49,-13.36,;18.01,-13.59,;17.77,-15.11,;19.26,-15.51,;18.17,-16.6,;16.26,-14.88,;14.04,-12.13,;13.02,-13.27,;11.51,-12.95,;11.04,-11.49,;12.07,-10.35,;11.59,-8.88,;13.56,-10.67,;18.77,-2.8,;20.11,-3.57,;21.44,-2.8,;21.43,-1.25,;20.09,-.49,;18.76,-1.27,)| Show InChI InChI=1S/C28H27N5O2/c1-3-35-23-14-21(17-7-5-4-6-8-17)31-22-13-18(9-10-20(22)23)24-25-26(29)30-11-12-33(25)27(32-24)19-15-28(2,34)16-19/h4-14,19,34H,3,15-16H2,1-2H3,(H2,29,30)/t19-,28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437370
(CHEMBL3037912)Show SMILES COc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.21,16.17,wD:18.20,(47.77,-1.38,;47.77,-2.92,;49.1,-3.69,;50.43,-2.92,;51.77,-3.68,;51.78,-5.24,;50.44,-6.01,;50.44,-7.54,;51.78,-8.31,;49.12,-8.32,;47.77,-7.55,;47.77,-6.01,;49.1,-5.24,;49.13,-9.86,;50.38,-10.76,;49.91,-12.23,;50.82,-13.47,;52.34,-13.7,;52.1,-15.22,;53.59,-15.62,;52.5,-16.71,;50.59,-14.99,;48.37,-12.24,;47.35,-13.38,;45.84,-13.06,;45.37,-11.6,;46.4,-10.46,;45.92,-8.99,;47.89,-10.77,;53.1,-2.91,;54.44,-3.68,;55.77,-2.9,;55.76,-1.36,;54.41,-.6,;53.09,-1.37,)| Show InChI InChI=1S/C27H24FN5O2/c1-27(34)13-16(14-27)26-32-23(24-25(29)30-10-11-33(24)26)18-9-8-17-20(35-2)12-19(31-22(17)21(18)28)15-6-4-3-5-7-15/h3-12,16,34H,13-14H2,1-2H3,(H2,29,30)/t16-,27+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437369
(CHEMBL3037913)Show SMILES CCOc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:19.22,17.18,wD:19.21,(23.32,-.37,;24.65,-1.14,;24.65,-2.69,;25.99,-3.46,;27.32,-2.69,;28.65,-3.45,;28.66,-5,;27.32,-5.77,;27.32,-7.31,;28.66,-8.07,;26,-8.08,;24.65,-7.32,;24.65,-5.77,;25.98,-5,;26.01,-9.63,;27.26,-10.53,;26.79,-11.99,;27.7,-13.24,;29.23,-13.47,;28.99,-14.99,;30.47,-15.38,;29.39,-16.47,;27.47,-14.76,;25.25,-12,;24.23,-13.15,;22.72,-12.82,;22.25,-11.36,;23.28,-10.22,;22.8,-8.76,;24.77,-10.54,;29.98,-2.68,;31.32,-3.45,;32.65,-2.67,;32.64,-1.13,;31.3,-.36,;29.97,-1.14,)| Show InChI InChI=1S/C28H26FN5O2/c1-3-36-21-13-20(16-7-5-4-6-8-16)32-23-18(21)9-10-19(22(23)29)24-25-26(30)31-11-12-34(25)27(33-24)17-14-28(2,35)15-17/h4-13,17,35H,3,14-15H2,1-2H3,(H2,30,31)/t17-,28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336321
(CHEMBL1667939 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:7.10,wD:4.3,(12.87,-39.64,;12.08,-40.96,;10.54,-40.95,;9.76,-42.27,;10.06,-39.48,;11.09,-38.33,;10.61,-36.86,;9.11,-36.56,;8.08,-37.71,;8.56,-39.16,;8.62,-35.1,;9.52,-33.85,;8.61,-32.61,;9.38,-31.28,;8.61,-29.95,;9.37,-28.62,;10.92,-28.62,;11.68,-27.29,;13.21,-27.29,;13.99,-28.62,;13.22,-29.95,;11.69,-29.95,;10.92,-31.28,;11.69,-32.62,;15.52,-28.62,;16.29,-29.96,;17.83,-29.96,;18.6,-28.62,;17.82,-27.29,;16.28,-27.29,;7.14,-33.09,;5.81,-32.33,;5.8,-30.79,;4.48,-33.1,;4.48,-34.64,;5.81,-35.41,;7.15,-34.63,)| Show InChI InChI=1S/C29H27FN6O/c1-32-29(37)20-9-7-19(8-10-20)28-35-25(26-27(31)33-15-16-36(26)28)21-13-11-18-12-14-22(34-24(18)23(21)30)17-5-3-2-4-6-17/h2-6,11-16,19-20H,7-10H2,1H3,(H2,31,33)(H,32,37)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336327
(CHEMBL1667945 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccccn1 |r,wU:27.31,wD:30.38,(-8.63,-16.09,;-8.62,-17.63,;-9.95,-18.4,;-9.95,-19.94,;-8.62,-20.71,;-7.28,-19.93,;-5.81,-20.4,;-4.91,-19.15,;-5.82,-17.91,;-5.05,-16.58,;-5.82,-15.25,;-5.06,-13.92,;-3.51,-13.92,;-2.75,-12.59,;-1.22,-12.59,;-.44,-13.92,;-1.21,-15.25,;-2.74,-15.25,;-3.51,-16.58,;-2.74,-17.92,;1.09,-13.92,;1.86,-15.26,;3.4,-15.26,;4.17,-13.92,;3.39,-12.58,;1.85,-12.59,;-7.29,-18.39,;-5.32,-21.86,;-3.82,-22.16,;-3.34,-23.63,;-4.37,-24.78,;-5.87,-24.46,;-6.35,-23.01,;-3.89,-26.25,;-4.67,-27.57,;-2.35,-26.26,;-1.56,-24.94,;-.02,-24.96,;.76,-23.64,;.01,-22.29,;-1.54,-22.28,;-2.32,-23.61,)| Show InChI InChI=1S/C33H28FN7O/c34-27-24(15-13-21-14-16-25(38-28(21)27)20-6-2-1-3-7-20)29-30-31(35)37-18-19-41(30)32(40-29)22-9-11-23(12-10-22)33(42)39-26-8-4-5-17-36-26/h1-8,13-19,22-23H,9-12H2,(H2,35,37)(H,36,39,42)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336324
(CHEMBL1667942 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccn[nH]1 |r,wU:27.31,wD:30.38,(-8.21,2.51,;-8.21,.97,;-9.54,.19,;-9.54,-1.35,;-8.21,-2.12,;-6.87,-1.34,;-5.4,-1.81,;-4.5,-.56,;-5.41,.69,;-4.64,2.01,;-5.41,3.34,;-4.64,4.67,;-3.1,4.68,;-2.33,6,;-.8,6,;-.03,4.67,;-.8,3.34,;-2.33,3.34,;-3.1,2.01,;-2.33,.67,;1.5,4.67,;2.27,3.33,;3.81,3.33,;4.58,4.67,;3.8,6.01,;2.27,6,;-6.87,.2,;-4.91,-3.27,;-3.4,-3.57,;-2.93,-5.04,;-3.95,-6.19,;-5.46,-5.87,;-5.94,-4.41,;-3.47,-7.65,;-4.26,-8.98,;-1.93,-7.67,;-1.18,-9.01,;.37,-9.01,;.85,-10.47,;-.4,-11.38,;-1.65,-10.47,)| Show InChI InChI=1S/C31H27FN8O/c32-25-22(12-10-19-11-13-23(36-26(19)25)18-4-2-1-3-5-18)27-28-29(33)34-16-17-40(28)30(38-27)20-6-8-21(9-7-20)31(41)37-24-14-15-35-39-24/h1-5,10-17,20-21H,6-9H2,(H2,33,34)(H2,35,37,39,41)/t20-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336323
(CHEMBL1667941 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nncs1 |r,wU:27.31,wD:30.38,(36.37,-27.21,;36.37,-28.75,;35.04,-29.52,;35.04,-31.06,;36.38,-31.83,;37.72,-31.05,;39.19,-31.52,;40.09,-30.27,;39.17,-29.02,;39.94,-27.7,;39.17,-26.37,;39.94,-25.04,;41.49,-25.04,;42.25,-23.71,;43.78,-23.71,;44.55,-25.04,;43.78,-26.37,;42.25,-26.37,;41.48,-27.7,;42.25,-29.04,;46.09,-25.04,;46.85,-26.38,;48.39,-26.38,;49.16,-25.04,;48.39,-23.7,;46.85,-23.71,;37.71,-29.51,;39.67,-32.98,;41.18,-33.28,;41.66,-34.75,;40.63,-35.9,;39.12,-35.58,;38.64,-34.12,;41.11,-37.36,;40.32,-38.69,;42.65,-37.38,;43.4,-38.72,;44.94,-38.9,;45.24,-40.41,;43.9,-41.16,;42.77,-40.12,)| Show InChI InChI=1S/C30H25FN8OS/c31-23-21(12-10-18-11-13-22(35-24(18)23)17-4-2-1-3-5-17)25-26-27(32)33-14-15-39(26)28(36-25)19-6-8-20(9-7-19)29(40)37-30-38-34-16-41-30/h1-5,10-16,19-20H,6-9H2,(H2,32,33)(H,37,38,40)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336322
(CHEMBL1667940 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES NC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:6.9,wD:3.2,(26.07,-41.48,;24.53,-41.46,;23.74,-42.79,;24.05,-40,;25.07,-38.85,;24.6,-37.38,;23.09,-37.08,;22.06,-38.22,;22.54,-39.68,;22.6,-35.62,;23.5,-34.37,;22.59,-33.12,;23.36,-31.8,;22.59,-30.47,;23.36,-29.14,;24.9,-29.13,;25.67,-27.81,;27.2,-27.81,;27.97,-29.14,;27.2,-30.47,;25.67,-30.47,;24.9,-31.8,;25.67,-33.14,;29.5,-29.14,;30.27,-30.48,;31.81,-30.48,;32.58,-29.14,;31.8,-27.8,;30.27,-27.81,;21.13,-33.61,;19.79,-32.84,;19.79,-31.3,;18.46,-33.62,;18.46,-35.16,;19.79,-35.93,;21.13,-35.15,)| Show InChI InChI=1S/C28H25FN6O/c29-22-20(12-10-17-11-13-21(33-23(17)22)16-4-2-1-3-5-16)24-25-26(30)32-14-15-35(25)28(34-24)19-8-6-18(7-9-19)27(31)36/h1-5,10-15,18-19H,6-9H2,(H2,30,32)(H2,31,36)/t18-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336315
(CHEMBL1667948 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1 |r,wU:27.31,wD:30.38,(-9.22,-32.11,;-9.21,-33.66,;-10.54,-34.43,;-10.55,-35.97,;-9.21,-36.74,;-7.87,-35.96,;-6.4,-36.43,;-5.5,-35.18,;-6.41,-33.93,;-5.64,-32.61,;-6.41,-31.28,;-5.64,-29.95,;-4.09,-29.94,;-3.33,-28.62,;-1.8,-28.61,;-1.03,-29.95,;-1.8,-31.28,;-3.33,-31.27,;-4.1,-32.61,;-3.33,-33.95,;.51,-29.95,;1.28,-31.28,;2.82,-31.28,;3.59,-29.95,;2.81,-28.61,;1.27,-28.62,;-7.88,-34.42,;-5.91,-37.9,;-4.4,-38.2,;-3.92,-39.67,;-4.95,-40.82,;-6.46,-40.5,;-6.94,-39.04,;-4.47,-42.28,;-5.26,-43.61,;-2.93,-42.3,;-2.15,-40.97,;-2.75,-39.55,;-1.6,-38.53,;-1.58,-37,;-.25,-36.25,;1.08,-37.03,;1.06,-38.56,;-.27,-39.31,;-.61,-40.82,)| Show InChI InChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437358
(CHEMBL3037908)Show SMILES COc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.20,15.16,wD:17.19,(2.3,-.85,;2.3,-2.39,;3.63,-3.16,;4.96,-2.39,;6.3,-3.15,;6.31,-4.71,;4.97,-5.48,;4.97,-7.01,;3.65,-7.79,;2.3,-7.02,;2.3,-5.48,;3.63,-4.71,;3.66,-9.33,;4.91,-10.23,;4.44,-11.7,;5.35,-12.94,;6.87,-13.17,;6.63,-14.69,;8.12,-15.09,;7.03,-16.18,;5.12,-14.46,;2.9,-11.71,;1.88,-12.85,;.37,-12.53,;-.11,-11.07,;.93,-9.93,;.45,-8.46,;2.42,-10.25,;7.63,-2.38,;8.97,-3.15,;10.3,-2.38,;10.29,-.83,;8.94,-.07,;7.62,-.85,)| Show InChI InChI=1S/C27H25N5O2/c1-27(33)14-18(15-27)26-31-23(24-25(28)29-10-11-32(24)26)17-8-9-19-21(12-17)30-20(13-22(19)34-2)16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H2,28,29)/t18-,27+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339062
(4-(3-(4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)im...)Show SMILES Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCN(CC1)C=O |r,wU:27.31,29.36,(5.56,-13.24,;5.57,-14.78,;4.24,-15.55,;4.24,-17.09,;5.57,-17.86,;6.9,-17.08,;8.37,-17.56,;9.28,-16.31,;8.37,-15.06,;9.12,-13.72,;8.34,-12.4,;9.1,-11.06,;10.64,-11.05,;11.4,-9.71,;12.94,-9.7,;13.72,-11.04,;12.95,-12.37,;11.41,-12.38,;10.67,-13.71,;11.45,-15.04,;15.25,-11.03,;16.03,-12.36,;17.57,-12.35,;18.33,-11.01,;17.55,-9.68,;16.01,-9.69,;6.9,-15.54,;8.84,-19.01,;8.14,-20.39,;9.52,-21.09,;10.21,-19.71,;10,-22.55,;8.96,-23.7,;9.43,-25.15,;10.94,-25.48,;11.97,-24.34,;11.5,-22.87,;11.41,-26.95,;10.37,-28.09,)| Show InChI InChI=1S/C29H27FN8O/c30-24-22(8-6-19-7-9-23(34-25(19)24)18-4-2-1-3-5-18)26-27-28(31)32-16-33-38(27)29(35-26)20-14-21(15-20)37-12-10-36(17-39)11-13-37/h1-9,16-17,20-21H,10-15H2,(H2,31,32,33)/t20-,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437367
(CHEMBL3037915)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3c(Oc4ccccc4)cc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.16,-33.71,;16.68,-33.31,;17.08,-34.79,;16.92,-31.79,;15.39,-31.56,;15.16,-33.08,;14.48,-30.32,;14.95,-28.85,;13.7,-27.95,;13.69,-26.4,;12.34,-25.64,;12.34,-24.09,;13.68,-23.32,;13.68,-21.78,;12.34,-21.01,;12.34,-19.47,;13.69,-18.69,;13.69,-17.17,;12.35,-16.4,;11.01,-17.17,;11.02,-18.7,;15.01,-21.01,;16.34,-21.77,;16.35,-23.32,;15.01,-24.09,;15.02,-25.63,;16.35,-26.39,;17.67,-21,;19.01,-21.77,;20.34,-20.99,;20.34,-19.45,;18.99,-18.68,;17.66,-19.46,;12.46,-28.86,;10.97,-28.54,;10.5,-27.08,;9.94,-29.68,;10.41,-31.14,;11.92,-31.47,;12.94,-30.32,)| Show InChI InChI=1S/C32H26FN5O2/c1-32(39)17-20(18-32)31-37-28(29-30(34)35-14-15-38(29)31)23-13-12-22-25(40-21-10-6-3-7-11-21)16-24(36-27(22)26(23)33)19-8-4-2-5-9-19/h2-16,20,39H,17-18H2,1H3,(H2,34,35)/t20-,32+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336318
(CHEMBL1667936 | trans-2-(3-(-4-ethylcyclohexyl)-7-...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@H](CO)CC1 |r,wU:27.31,wD:30.35,(3.1,-15.73,;3.11,-17.27,;1.78,-18.04,;1.78,-19.59,;3.11,-20.36,;4.45,-19.58,;5.92,-20.05,;6.82,-18.8,;5.91,-17.55,;6.68,-16.23,;5.91,-14.9,;6.67,-13.57,;8.22,-13.56,;8.98,-12.24,;10.51,-12.24,;11.29,-13.57,;10.52,-14.9,;8.99,-14.89,;8.22,-16.23,;8.99,-17.57,;12.82,-13.57,;13.59,-14.91,;15.13,-14.91,;15.9,-13.57,;15.12,-12.23,;13.58,-12.24,;4.44,-18.04,;6.41,-21.51,;7.91,-21.81,;8.39,-23.28,;7.36,-24.43,;7.84,-25.89,;9.35,-26.21,;5.86,-24.11,;5.38,-22.65,)| Show InChI InChI=1S/C28H26FN5O/c29-23-21(12-10-19-11-13-22(32-24(19)23)18-4-2-1-3-5-18)25-26-27(30)31-14-15-34(26)28(33-25)20-8-6-17(16-35)7-9-20/h1-5,10-15,17,20,35H,6-9,16H2,(H2,30,31)/t17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336328
(CHEMBL1667946 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncn1 |r,wU:27.31,wD:30.38,(5.26,-16.47,;5.26,-18.01,;3.93,-18.78,;3.93,-20.33,;5.27,-21.1,;6.61,-20.32,;8.08,-20.79,;8.98,-19.53,;8.06,-18.29,;8.83,-16.97,;8.07,-15.64,;8.83,-14.3,;10.38,-14.3,;11.14,-12.98,;12.67,-12.97,;13.45,-14.31,;12.68,-15.63,;11.14,-15.63,;10.38,-16.97,;11.15,-18.3,;14.98,-14.31,;15.75,-15.64,;17.29,-15.64,;18.06,-14.31,;17.28,-12.97,;15.74,-12.98,;6.6,-18.78,;8.56,-22.25,;10.07,-22.55,;10.55,-24.02,;9.52,-25.17,;8.01,-24.85,;7.54,-23.39,;10,-26.63,;9.22,-27.96,;11.54,-26.65,;12.33,-25.32,;13.87,-25.35,;14.65,-24.03,;13.89,-22.68,;12.35,-22.67,;11.57,-23.99,)| Show InChI InChI=1S/C32H27FN8O/c33-26-23(12-10-20-11-13-24(38-27(20)26)19-4-2-1-3-5-19)28-29-30(34)36-16-17-41(29)31(40-28)21-6-8-22(9-7-21)32(42)39-25-14-15-35-18-37-25/h1-5,10-18,21-22H,6-9H2,(H2,34,36)(H,35,37,39,42)/t21-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437361
(CHEMBL3037921)Show SMILES CCOc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.18,19.23,(16.88,-36.18,;15.55,-36.95,;15.55,-38.49,;16.88,-39.26,;18.21,-38.49,;19.55,-39.25,;19.56,-40.81,;18.22,-41.58,;18.22,-43.11,;19.56,-43.88,;16.9,-43.89,;15.55,-43.12,;15.55,-41.58,;16.88,-40.81,;16.91,-45.43,;18.16,-46.33,;17.69,-47.8,;18.6,-49.04,;18.37,-50.56,;19.88,-50.79,;20.12,-49.27,;20.79,-52.03,;20.17,-53.44,;21.08,-54.68,;22.61,-54.52,;23.52,-55.77,;23.23,-53.11,;22.33,-51.86,;16.15,-47.81,;15.13,-48.95,;13.62,-48.63,;13.15,-47.17,;14.18,-46.03,;13.7,-44.56,;15.67,-46.34,;20.88,-38.48,;22.21,-39.25,;23.55,-38.48,;23.54,-36.93,;22.19,-36.17,;20.87,-36.95,)| Show InChI InChI=1S/C32H34FN7O/c1-3-41-26-19-25(20-7-5-4-6-8-20)36-28-23(26)9-10-24(27(28)33)29-30-31(34)35-11-12-40(30)32(37-29)21-17-22(18-21)39-15-13-38(2)14-16-39/h4-12,19,21-22H,3,13-18H2,1-2H3,(H2,34,35)/t21-,22+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437362
(CHEMBL3037920)Show SMILES COc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:16.17,18.22,(3.57,-35.88,;3.58,-37.43,;4.91,-38.2,;6.24,-37.43,;7.58,-38.19,;7.58,-39.74,;6.24,-40.51,;6.25,-42.05,;7.59,-42.81,;4.92,-42.82,;3.58,-42.06,;3.58,-40.51,;4.91,-39.74,;4.93,-44.37,;6.18,-45.27,;5.71,-46.73,;6.63,-47.98,;6.39,-49.5,;7.91,-49.73,;8.15,-48.21,;8.82,-50.97,;8.2,-52.38,;9.1,-53.62,;10.64,-53.46,;11.54,-54.7,;11.26,-52.05,;10.35,-50.79,;4.17,-46.74,;3.15,-47.89,;1.65,-47.56,;1.17,-46.1,;2.2,-44.96,;1.73,-43.5,;3.7,-45.28,;8.9,-37.42,;10.24,-38.19,;11.57,-37.41,;11.57,-35.87,;10.22,-35.1,;8.9,-35.88,)| Show InChI InChI=1S/C31H32FN7O/c1-37-12-14-38(15-13-37)21-16-20(17-21)31-36-28(29-30(33)34-10-11-39(29)31)23-9-8-22-25(40-2)18-24(35-27(22)26(23)32)19-6-4-3-5-7-19/h3-11,18,20-21H,12-17H2,1-2H3,(H2,33,34)/t20-,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437368
(CHEMBL3037914)Show SMILES CC(C)Oc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:20.23,18.19,wD:20.22,(3.2,-17.1,;1.87,-17.87,;.53,-17.1,;1.87,-19.41,;3.21,-20.18,;4.54,-19.41,;5.87,-20.17,;5.88,-21.73,;4.54,-22.5,;4.54,-24.03,;5.88,-24.8,;3.22,-24.81,;1.87,-24.04,;1.87,-22.5,;3.2,-21.73,;3.23,-26.35,;4.48,-27.25,;4.01,-28.72,;4.92,-29.96,;6.44,-30.19,;6.21,-31.71,;7.69,-32.11,;6.61,-33.2,;4.69,-31.48,;2.47,-28.73,;1.45,-29.87,;-.07,-29.55,;-.54,-28.09,;.5,-26.95,;.02,-25.48,;1.99,-27.26,;7.2,-19.4,;8.54,-20.17,;9.87,-19.39,;9.86,-17.85,;8.52,-17.09,;7.19,-17.87,)| Show InChI InChI=1S/C29H28FN5O2/c1-16(2)37-22-13-21(17-7-5-4-6-8-17)33-24-19(22)9-10-20(23(24)30)25-26-27(31)32-11-12-35(26)28(34-25)18-14-29(3,36)15-18/h4-13,16,18,36H,14-15H2,1-3H3,(H2,31,32)/t18-,29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437372
(CHEMBL3037910)Show SMILES CC(C)Oc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:19.22,17.18,wD:19.21,(26.66,-.05,;25.33,-.82,;23.99,-.05,;25.33,-2.36,;26.66,-3.13,;27.99,-2.36,;29.33,-3.12,;29.34,-4.68,;28,-5.45,;28,-6.98,;26.68,-7.76,;25.33,-6.99,;25.33,-5.45,;26.66,-4.68,;26.69,-9.3,;27.94,-10.2,;27.47,-11.67,;28.38,-12.91,;29.9,-13.14,;29.66,-14.66,;31.15,-15.06,;30.06,-16.15,;28.15,-14.43,;25.93,-11.68,;24.91,-12.82,;23.4,-12.5,;22.93,-11.04,;23.96,-9.9,;23.48,-8.43,;25.45,-10.21,;30.66,-2.35,;32,-3.12,;33.33,-2.34,;33.32,-.8,;31.98,-.04,;30.65,-.81,)| Show InChI InChI=1S/C29H29N5O2/c1-17(2)36-24-14-22(18-7-5-4-6-8-18)32-23-13-19(9-10-21(23)24)25-26-27(30)31-11-12-34(26)28(33-25)20-15-29(3,35)16-20/h4-14,17,20,35H,15-16H2,1-3H3,(H2,30,31)/t20-,29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50421257
(CHEMBL2087875)Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C28H31N5OS2/c1-2-6-20(7-3-1)24-25-27(29-18-23-35-16-17-36-23)30-19-31-28(25)32-26(24)21-8-10-22(11-9-21)34-15-14-33-12-4-5-13-33/h1-3,6-11,19,23H,4-5,12-18H2,(H2,29,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50315887
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)| Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50315887
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)| Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336331
(CHEMBL1667950 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Cn1c(NC(=O)[C@H]2CC[C@@H](CC2)c2nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c3c(N)nccn23)nc2ccccc12 |r,wU:9.12,wD:6.5,(31.09,-42.68,;30.06,-41.52,;28.53,-41.68,;27.74,-43,;26.2,-42.98,;25.41,-44.31,;25.72,-41.52,;26.75,-40.37,;26.27,-38.9,;24.76,-38.6,;23.73,-39.74,;24.21,-41.2,;24.27,-37.14,;25.17,-35.88,;24.26,-34.64,;25.03,-33.31,;24.26,-31.98,;25.03,-30.65,;26.58,-30.65,;27.34,-29.32,;28.87,-29.32,;29.64,-30.65,;28.87,-31.98,;27.34,-31.98,;26.57,-33.32,;27.34,-34.65,;31.18,-30.65,;31.95,-31.99,;33.49,-31.99,;34.26,-30.65,;33.48,-29.31,;31.94,-29.32,;22.79,-35.12,;21.46,-34.36,;21.45,-32.82,;20.13,-35.13,;20.13,-36.68,;21.46,-37.45,;22.8,-36.67,;27.92,-40.25,;29.08,-39.24,;29.09,-37.71,;30.42,-36.95,;31.75,-37.73,;31.73,-39.27,;30.4,-40.02,)| Show InChI InChI=1S/C36H31FN8O/c1-44-28-10-6-5-9-27(28)41-36(44)43-35(46)24-13-11-23(12-14-24)34-42-31(32-33(38)39-19-20-45(32)34)25-17-15-22-16-18-26(40-30(22)29(25)37)21-7-3-2-4-8-21/h2-10,15-20,23-24H,11-14H2,1H3,(H2,38,39)(H,41,43,46)/t23-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339064
(5-(8-fluoro-2-phenylquinolin-7-yl)-7-(3-(4-methylp...)Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:9.12,7.7,(40.85,-28.31,;40.38,-26.84,;38.87,-26.51,;38.4,-25.05,;39.44,-23.91,;40.94,-24.23,;41.41,-25.7,;38.96,-22.44,;37.58,-21.74,;38.28,-20.37,;39.66,-21.07,;37.81,-18.92,;38.72,-17.67,;37.81,-16.42,;38.56,-15.08,;37.78,-13.76,;38.54,-12.42,;40.08,-12.4,;40.84,-11.07,;42.38,-11.06,;43.16,-12.39,;42.39,-13.73,;40.85,-13.74,;40.11,-15.07,;40.89,-16.39,;44.69,-12.38,;45.47,-13.72,;47.01,-13.71,;47.77,-12.37,;46.99,-11.04,;45.45,-11.05,;36.34,-16.9,;35.01,-16.13,;35,-14.59,;33.68,-16.9,;33.68,-18.45,;35.01,-19.22,;36.34,-18.44,)| Show InChI InChI=1S/C29H29FN8/c1-36-11-13-37(14-12-36)21-15-20(16-21)29-35-26(27-28(31)32-17-33-38(27)29)22-9-7-19-8-10-23(34-25(19)24(22)30)18-5-3-2-4-6-18/h2-10,17,20-21H,11-16H2,1H3,(H2,31,32,33)/t20-,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437366
(CHEMBL3037916)Show SMILES COc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:15.16,17.21,(22.07,-17.53,;22.08,-19.07,;23.41,-19.84,;24.74,-19.07,;26.08,-19.83,;26.08,-21.38,;24.74,-22.16,;24.75,-23.69,;23.42,-24.47,;22.08,-23.7,;22.08,-22.16,;23.41,-21.39,;23.43,-26.01,;24.68,-26.91,;24.22,-28.38,;25.13,-29.62,;24.89,-31.14,;26.41,-31.37,;26.65,-29.85,;27.32,-32.61,;26.7,-34.02,;27.6,-35.26,;29.14,-35.1,;30.04,-36.35,;29.76,-33.69,;28.85,-32.44,;22.67,-28.39,;21.65,-29.53,;20.15,-29.21,;19.67,-27.74,;20.7,-26.61,;20.23,-25.14,;22.2,-26.92,;27.4,-19.06,;28.74,-19.83,;30.07,-19.05,;30.07,-17.51,;28.72,-16.74,;27.4,-17.52,)| Show InChI InChI=1S/C31H33N7O/c1-36-12-14-37(15-13-36)23-16-22(17-23)31-35-28(29-30(32)33-10-11-38(29)31)21-8-9-24-26(18-21)34-25(19-27(24)39-2)20-6-4-3-5-7-20/h3-11,18-19,22-23H,12-17H2,1-2H3,(H2,32,33)/t22-,23+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336317
(CHEMBL1667935 | cis-3-[4-Amino-5-(8-fluoro-2-pheny...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(-2.6,-22.44,;-3.93,-21.67,;-4.34,-23.15,;-3.24,-20.29,;-4.61,-19.61,;-5.31,-20.98,;-5.1,-18.14,;-4.2,-16.89,;-5.11,-15.65,;-4.34,-14.32,;-5.11,-12.99,;-4.34,-11.66,;-2.79,-11.65,;-2.03,-10.33,;-.5,-10.33,;.27,-11.66,;-.5,-12.99,;-2.03,-12.99,;-2.8,-14.32,;-2.03,-15.66,;1.81,-11.66,;2.58,-13,;4.12,-13,;4.89,-11.66,;4.11,-10.32,;2.57,-10.33,;-6.58,-16.13,;-7.91,-15.37,;-7.92,-13.83,;-9.24,-16.14,;-9.25,-17.68,;-7.91,-18.46,;-6.57,-17.68,)| Show InChI InChI=1S/C25H21FN6O/c1-25(33)11-16(12-25)24-31-21(22-23(27)28-13-29-32(22)24)17-9-7-15-8-10-18(30-20(15)19(17)26)14-5-3-2-4-6-14/h2-10,13,16,33H,11-12H2,1H3,(H2,27,28,29)/t16-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336317
(CHEMBL1667935 | cis-3-[4-Amino-5-(8-fluoro-2-pheny...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(-2.6,-22.44,;-3.93,-21.67,;-4.34,-23.15,;-3.24,-20.29,;-4.61,-19.61,;-5.31,-20.98,;-5.1,-18.14,;-4.2,-16.89,;-5.11,-15.65,;-4.34,-14.32,;-5.11,-12.99,;-4.34,-11.66,;-2.79,-11.65,;-2.03,-10.33,;-.5,-10.33,;.27,-11.66,;-.5,-12.99,;-2.03,-12.99,;-2.8,-14.32,;-2.03,-15.66,;1.81,-11.66,;2.58,-13,;4.12,-13,;4.89,-11.66,;4.11,-10.32,;2.57,-10.33,;-6.58,-16.13,;-7.91,-15.37,;-7.92,-13.83,;-9.24,-16.14,;-9.25,-17.68,;-7.91,-18.46,;-6.57,-17.68,)| Show InChI InChI=1S/C25H21FN6O/c1-25(33)11-16(12-25)24-31-21(22-23(27)28-13-29-32(22)24)17-9-7-15-8-10-18(30-20(15)19(17)26)14-5-3-2-4-6-14/h2-10,13,16,33H,11-12H2,1H3,(H2,27,28,29)/t16-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50219382
(3-((1s,3s)-3-(4-methylpiperazin-1-yl)cyclobutyl)-1...)Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:7.7,9.12,(13.72,-11.86,;13.25,-10.4,;11.74,-10.07,;11.27,-8.61,;12.31,-7.47,;13.81,-7.78,;14.28,-9.25,;11.83,-6.01,;10.46,-5.31,;11.15,-3.94,;12.53,-4.64,;10.68,-2.48,;11.59,-1.22,;10.67,.03,;11.15,1.5,;10.12,2.63,;10.58,4.09,;12.09,4.42,;12.57,5.88,;14.08,6.21,;15.12,5.05,;14.63,3.58,;13.12,3.27,;12.65,1.81,;16.62,5.37,;17.65,4.22,;19.15,4.54,;19.63,6.01,;18.59,7.15,;17.09,6.83,;9.2,-.45,;7.86,.32,;7.85,1.86,;6.53,-.45,;6.53,-2,;7.86,-2.77,;9.2,-2,)| Show InChI InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336326
(CHEMBL1667944 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nnc[nH]1 |r,wU:27.31,wD:30.38,(18.99,2.16,;19,.62,;17.67,-.15,;17.67,-1.69,;19,-2.46,;20.34,-1.68,;21.81,-2.15,;22.71,-.9,;21.8,.34,;22.57,1.67,;21.8,3,;22.56,4.33,;24.11,4.33,;24.87,5.66,;26.4,5.66,;27.18,4.33,;26.41,3,;24.88,3,;24.11,1.67,;24.88,.33,;28.71,4.33,;29.48,2.99,;31.02,2.99,;31.79,4.33,;31.01,5.66,;29.47,5.66,;20.33,-.14,;22.3,-3.61,;23.8,-3.91,;24.28,-5.38,;23.25,-6.53,;21.75,-6.21,;21.27,-4.76,;23.73,-7.99,;22.95,-9.32,;25.27,-8.01,;26.03,-9.35,;25.56,-10.81,;26.81,-11.72,;28.05,-10.81,;27.58,-9.35,)| Show InChI InChI=1S/C30H26FN9O/c31-23-21(12-10-18-11-13-22(36-24(18)23)17-4-2-1-3-5-17)25-26-27(32)33-14-15-40(26)28(37-25)19-6-8-20(9-7-19)29(41)38-30-34-16-35-39-30/h1-5,10-16,19-20H,6-9H2,(H2,32,33)(H2,34,35,38,39,41)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336316
(CHEMBL410659 | cis-3-(3-(azetidin-1-ylmethyl)cyclo...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)| Show InChI InChI=1S/C29H28N6/c30-28-27-26(22-8-7-21-9-10-24(32-25(21)17-22)20-5-2-1-3-6-20)33-29(35(27)14-11-31-28)23-15-19(16-23)18-34-12-4-13-34/h1-3,5-11,14,17,19,23H,4,12-13,15-16,18H2,(H2,30,31)/t19-,23+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245853
(CHEMBL502156 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12 Show InChI InChI=1S/C31H40FN7O2/c1-21-9-8-10-22(2)27(21)35-28-24-20-33-30(36-29(24)39(37-28)16-13-31(3,4)40-5)34-23-11-12-26(25(32)19-23)41-18-17-38-14-6-7-15-38/h8-12,19-20H,6-7,13-18H2,1-5H3,(H,35,37)(H,33,34,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336330
(CHEMBL1667949 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc2[nH]ccc2c1 |r,wU:27.31,wD:30.38,(5.89,-32.49,;5.89,-34.03,;4.56,-34.8,;4.56,-36.35,;5.89,-37.12,;7.24,-36.34,;8.71,-36.81,;9.61,-35.56,;8.69,-34.31,;9.46,-32.98,;8.69,-31.66,;9.46,-30.32,;11.01,-30.32,;11.77,-28.99,;13.3,-28.99,;14.08,-30.32,;13.31,-31.65,;11.77,-31.65,;11.01,-32.99,;11.78,-34.32,;15.61,-30.32,;16.38,-31.66,;17.92,-31.66,;18.7,-30.32,;17.92,-28.99,;16.38,-28.99,;7.23,-34.8,;9.19,-38.27,;10.7,-38.57,;11.18,-40.04,;10.15,-41.19,;8.64,-40.87,;8.16,-39.42,;10.63,-42.66,;9.85,-43.99,;12.17,-42.68,;12.96,-41.35,;12.2,-40.02,;12.98,-38.69,;14.53,-38.7,;15.56,-37.57,;16.96,-38.21,;16.79,-39.73,;15.29,-40.04,;14.5,-41.38,)| Show InChI InChI=1S/C36H30FN7O/c37-30-27(13-10-22-11-14-29(42-31(22)30)21-4-2-1-3-5-21)32-33-34(38)40-18-19-44(33)35(43-32)23-6-8-24(9-7-23)36(45)41-26-12-15-28-25(20-26)16-17-39-28/h1-5,10-20,23-24,39H,6-9H2,(H2,38,40)(H,41,45)/t23-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437371
(CHEMBL3037911)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3c(Oc4ccccc4)cc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(41.6,-16.89,;40.11,-16.49,;40.51,-17.98,;40.35,-14.97,;38.83,-14.74,;38.6,-16.26,;37.92,-13.5,;38.39,-12.03,;37.14,-11.13,;37.13,-9.59,;35.78,-8.82,;35.78,-7.28,;37.11,-6.51,;37.11,-4.96,;35.78,-4.19,;35.78,-2.65,;37.12,-1.88,;37.12,-.35,;35.79,.44,;34.45,-.36,;34.46,-1.88,;38.44,-4.19,;39.78,-4.95,;39.79,-6.5,;38.45,-7.28,;38.45,-8.81,;41.11,-4.18,;42.45,-4.95,;43.78,-4.17,;43.77,-2.63,;42.42,-1.87,;41.1,-2.64,;35.9,-12.04,;34.41,-11.73,;33.93,-10.26,;33.38,-12.87,;33.85,-14.33,;35.36,-14.65,;36.38,-13.51,)| Show InChI InChI=1S/C32H27N5O2/c1-32(38)18-22(19-32)31-36-28(29-30(33)34-14-15-37(29)31)21-12-13-24-26(16-21)35-25(20-8-4-2-5-9-20)17-27(24)39-23-10-6-3-7-11-23/h2-17,22,38H,18-19H2,1H3,(H2,33,34)/t22-,32+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50315887
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)| Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437365
(CHEMBL3037917)Show SMILES CCOc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:16.17,18.22,(33.34,-17.94,;32.01,-18.71,;32.01,-20.25,;33.34,-21.02,;34.67,-20.25,;36.01,-21.01,;36.01,-22.57,;34.68,-23.34,;34.68,-24.87,;33.35,-25.65,;32.01,-24.88,;32.01,-23.34,;33.34,-22.57,;33.36,-27.19,;34.62,-28.09,;34.15,-29.56,;35.06,-30.8,;34.82,-32.32,;36.34,-32.55,;36.58,-31.03,;37.25,-33.79,;36.63,-35.2,;37.54,-36.44,;39.07,-36.28,;39.98,-37.53,;39.69,-34.87,;38.79,-33.62,;32.61,-29.57,;31.59,-30.71,;30.08,-30.39,;29.6,-28.93,;30.64,-27.79,;30.16,-26.32,;32.13,-28.1,;37.34,-20.24,;38.67,-21.01,;40.01,-20.24,;40,-18.69,;38.65,-17.93,;37.33,-18.71,)| Show InChI InChI=1S/C32H35N7O/c1-3-40-28-20-26(21-7-5-4-6-8-21)35-27-19-22(9-10-25(27)28)29-30-31(33)34-11-12-39(30)32(36-29)23-17-24(18-23)38-15-13-37(2)14-16-38/h4-12,19-20,23-24H,3,13-18H2,1-2H3,(H2,33,34)/t23-,24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50315887
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)| Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339063
(7-(3-(4-methylpiperazin-1-yl)cyclobutyl)-5-(2-phen...)Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)ncnn12 |r,wU:9.12,7.7,(25.86,-27.54,;25.39,-26.08,;23.89,-25.75,;23.42,-24.29,;24.45,-23.15,;25.96,-23.46,;26.43,-24.93,;23.97,-21.68,;22.6,-20.98,;23.3,-19.61,;24.67,-20.31,;22.82,-18.15,;23.73,-16.9,;22.82,-15.66,;23.58,-14.32,;22.79,-13,;23.55,-11.66,;25.09,-11.64,;25.85,-10.31,;27.39,-10.3,;28.17,-11.63,;27.41,-12.97,;25.87,-12.98,;25.12,-14.3,;29.71,-11.62,;30.48,-12.95,;32.02,-12.95,;32.79,-11.61,;32,-10.27,;30.47,-10.29,;21.36,-16.13,;20.02,-15.37,;20.02,-13.83,;18.69,-16.14,;18.69,-17.68,;20.03,-18.45,;21.36,-17.68,)| Show InChI InChI=1S/C29H30N8/c1-35-11-13-36(14-12-35)23-15-22(16-23)29-34-26(27-28(30)31-18-32-37(27)29)21-8-7-20-9-10-24(33-25(20)17-21)19-5-3-2-4-6-19/h2-10,17-18,22-23H,11-16H2,1H3,(H2,30,31,32)/t22-,23+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339061
(4-(3-(4-amino-5-(2-phenylquinolin-7-yl)imidazo[1,5...)Show SMILES Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCN(CC1)C=O |r,wU:26.30,28.35,(-7.24,-13.78,;-7.23,-15.32,;-8.56,-16.09,;-8.56,-17.63,;-7.23,-18.41,;-5.9,-17.63,;-4.43,-18.1,;-3.52,-16.85,;-4.43,-15.61,;-3.68,-14.27,;-4.46,-12.95,;-3.7,-11.61,;-2.16,-11.59,;-1.4,-10.26,;.14,-10.24,;.92,-11.58,;.15,-12.92,;-1.39,-12.92,;-2.13,-14.25,;2.45,-11.57,;3.23,-12.9,;4.77,-12.9,;5.53,-11.56,;4.75,-10.22,;3.21,-10.24,;-5.9,-16.08,;-3.96,-19.56,;-4.66,-20.93,;-3.28,-21.63,;-2.58,-20.26,;-2.8,-23.1,;-3.84,-24.24,;-3.37,-25.7,;-1.86,-26.03,;-.83,-24.88,;-1.3,-23.41,;-1.39,-27.49,;-2.43,-28.63,)| Show InChI InChI=1S/C29H28N8O/c30-28-27-26(21-7-6-20-8-9-24(33-25(20)16-21)19-4-2-1-3-5-19)34-29(37(27)32-17-31-28)22-14-23(15-22)36-12-10-35(18-38)11-13-36/h1-9,16-18,22-23H,10-15H2,(H2,30,31,32)/t22-,23+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437360
(CHEMBL3037922)Show SMILES CC(C)Oc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.19,20.24,(26.9,-37.09,;28.24,-37.86,;29.57,-37.09,;28.24,-39.4,;29.57,-40.17,;30.9,-39.4,;32.24,-40.16,;32.24,-41.71,;30.9,-42.49,;30.91,-44.02,;32.25,-44.79,;29.58,-44.8,;28.24,-44.03,;28.24,-42.49,;29.57,-41.71,;29.59,-46.34,;30.84,-47.24,;30.38,-48.71,;31.29,-49.95,;31.05,-51.47,;32.57,-51.7,;32.81,-50.18,;33.48,-52.94,;32.86,-54.35,;33.76,-55.59,;35.3,-55.43,;36.2,-56.67,;35.92,-54.02,;35.01,-52.76,;28.83,-48.71,;27.81,-49.86,;26.31,-49.53,;25.83,-48.07,;26.86,-46.93,;26.39,-45.47,;28.36,-47.25,;33.56,-39.39,;34.9,-40.16,;36.23,-39.38,;36.23,-37.84,;34.88,-37.08,;33.56,-37.85,)| Show InChI InChI=1S/C33H36FN7O/c1-20(2)42-27-19-26(21-7-5-4-6-8-21)37-29-24(27)9-10-25(28(29)34)30-31-32(35)36-11-12-41(31)33(38-30)22-17-23(18-22)40-15-13-39(3)14-16-40/h4-12,19-20,22-23H,13-18H2,1-3H3,(H2,35,36)/t22-,23+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336320
(CHEMBL1667938 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES CN(C)C(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:8.11,wD:5.4,(-1.35,-36.9,;-2.14,-38.22,;-1.38,-39.56,;-3.67,-38.2,;-4.46,-39.53,;-4.16,-36.74,;-3.13,-35.59,;-3.61,-34.12,;-5.11,-33.82,;-6.14,-34.96,;-5.66,-36.42,;-5.6,-32.36,;-4.7,-31.11,;-5.61,-29.86,;-4.84,-28.54,;-5.61,-27.21,;-4.85,-25.88,;-3.3,-25.88,;-2.54,-24.55,;-1.01,-24.55,;-.23,-25.88,;-1,-27.21,;-2.53,-27.21,;-3.3,-28.54,;-2.53,-29.88,;1.3,-25.88,;2.07,-27.22,;3.61,-27.22,;4.38,-25.88,;3.6,-24.54,;2.06,-24.55,;-7.08,-30.35,;-8.41,-29.59,;-8.42,-28.05,;-9.74,-30.36,;-9.74,-31.9,;-8.41,-32.67,;-7.07,-31.89,)| Show InChI InChI=1S/C30H29FN6O/c1-36(2)30(38)21-10-8-20(9-11-21)29-35-26(27-28(32)33-16-17-37(27)29)22-14-12-19-13-15-23(34-25(19)24(22)31)18-6-4-3-5-7-18/h3-7,12-17,20-21H,8-11H2,1-2H3,(H2,32,33)/t20-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98297
(US8481733, 109)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2F)C(=O)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.82,-7.95,;1.49,-7.18,;.72,-8.52,;2.26,-5.85,;.92,-5.08,;.15,-6.41,;.53,-3.59,;1.43,-2.35,;.53,-1.1,;.92,.39,;-.17,1.48,;.23,2.96,;1.72,3.36,;2.81,2.27,;2.41,.79,;3.5,-.3,;2.12,4.85,;3.61,5.25,;1.03,5.94,;1.43,7.43,;.34,8.52,;-1.15,8.12,;-1.55,6.63,;-.46,5.54,;-.94,-1.58,;-2.27,-.81,;-2.27,.73,;-3.61,-1.58,;-3.61,-3.12,;-2.27,-3.89,;-.94,-3.12,)| Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)17-8-7-15(11-18(17)25)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50437364
(CHEMBL3037918)Show SMILES CC(C)Oc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.18,19.23,(44.8,-17.77,;46.14,-18.54,;47.47,-17.77,;46.14,-20.08,;47.47,-20.85,;48.8,-20.08,;50.14,-20.84,;50.14,-22.39,;48.81,-23.17,;48.81,-24.7,;47.48,-25.48,;46.14,-24.71,;46.14,-23.17,;47.47,-22.39,;47.49,-27.02,;48.74,-27.92,;48.28,-29.39,;49.19,-30.63,;48.95,-32.15,;50.47,-32.38,;50.71,-30.86,;51.38,-33.62,;50.76,-35.03,;51.66,-36.27,;53.2,-36.11,;54.1,-37.35,;53.82,-34.7,;52.91,-33.45,;46.73,-29.39,;45.71,-30.54,;44.21,-30.21,;43.73,-28.75,;44.76,-27.61,;44.29,-26.15,;46.26,-27.93,;51.46,-20.07,;52.8,-20.84,;54.13,-20.06,;54.13,-18.52,;52.78,-17.75,;51.46,-18.53,)| Show InChI InChI=1S/C33H37N7O/c1-21(2)41-29-20-27(22-7-5-4-6-8-22)36-28-19-23(9-10-26(28)29)30-31-32(34)35-11-12-40(31)33(37-30)24-17-25(18-24)39-15-13-38(3)14-16-39/h4-12,19-21,24-25H,13-18H2,1-3H3,(H2,34,35)/t24-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio... |
ACS Med Chem Lett 4: 627-31 (2013)
Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98295
(US8481733, 107)Show SMILES COc1cc(ccc1C(=O)c1ccccc1)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:19.20,21.24,wD:21.23,(-3.88,4.74,;-2.34,4.74,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)| Show InChI InChI=1S/C25H24N4O3/c1-25(31)13-17(14-25)24-28-20(21-23(26)27-10-11-29(21)24)16-8-9-18(19(12-16)32-2)22(30)15-6-4-3-5-7-15/h3-12,17,31H,13-14H2,1-2H3,(H2,26,27)/t17-,25+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98293
(US8481733, 105)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(C(=O)c3ccccc3)c(F)c2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-2.34,4.74,;-1.65,2.17,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)| Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)15-7-8-17(18(25)11-15)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98282
(US8481733, 94)Show SMILES COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:18.19,20.23,wD:20.22,(2.01,-1.15,;2.01,.39,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)| Show InChI InChI=1S/C24H24N4O3/c1-24(29)13-15(14-24)23-27-20(21-22(25)26-10-11-28(21)23)18-9-8-17(12-19(18)30-2)31-16-6-4-3-5-7-16/h3-12,15,29H,13-14H2,1-2H3,(H2,25,26)/t15-,24+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98208
(US8481733, 20)Show SMILES COc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C23H22N4O2/c1-28-19-14-16(10-11-18(19)29-17-8-3-2-4-9-17)20-21-22(24)25-12-13-27(21)23(26-20)15-6-5-7-15/h2-4,8-15H,5-7H2,1H3,(H2,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Search and Browse
