Found 191 hits with Last Name = 'van der plas' and Initial = 's' 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)) | BDBM50340122
(CHEMBL1760036 | N4-(naphthalen-2-yl)-N2-(3,4,5-tri...)Show SMILES COc1cc(Nc2nccc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C23H22N4O3/c1-28-19-13-18(14-20(29-2)22(19)30-3)26-23-24-11-10-21(27-23)25-17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3,(H2,24,25,26,27) | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340126
(CHEMBL1738698 | N2-(3-methoxy-4-morpholinophenyl)-...)Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N1CCOCC1 Show InChI InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340121
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50340121
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of INSR |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340128
(CHEMBL1760041 | N4-(quinolin-6-yl)-N2-(3,4,5-trime...)Show SMILES COc1cc(Nc2nccc(Nc3ccc4ncccc4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N5O3/c1-28-18-12-16(13-19(29-2)21(18)30-3)26-22-24-10-8-20(27-22)25-15-6-7-17-14(11-15)5-4-9-23-17/h4-13H,1-3H3,(H2,24,25,26,27) | 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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340144
(CHEMBL1760058 | N2-(3-methoxy-4-(3-(piperidin-1-yl...)Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1OCCCN1CCCCC1 Show InChI InChI=1S/C28H32N6O2/c1-35-26-19-22(10-11-25(26)36-17-7-16-34-14-5-2-6-15-34)32-28-29-13-12-27(33-28)31-23-18-21-8-3-4-9-24(21)30-20-23/h3-4,8-13,18-20H,2,5-7,14-17H2,1H3,(H2,29,31,32,33) | 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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340127
(CHEMBL1760040 | N4-(isoquinolin-3-yl)-N2-(3,4,5-tr...)Show SMILES COc1cc(Nc2nccc(Nc3cc4ccccc4cn3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N5O3/c1-28-17-11-16(12-18(29-2)21(17)30-3)25-22-23-9-8-19(27-22)26-20-10-14-6-4-5-7-15(14)13-24-20/h4-13H,1-3H3,(H2,23,24,25,26,27) | 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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340126
(CHEMBL1738698 | N2-(3-methoxy-4-morpholinophenyl)-...)Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N1CCOCC1 Show InChI InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IGF1-induced human IGF1R auto phosphorylation expressed in mouse NIH-3T3 cells preincubated with compound for 1 hr |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM146127
(US8957068, 162)Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1 |r| Show InChI InChI=1S/C24H26N4O3/c1-16(2)21-15-30-24(29)28(21)22-13-14-25-23(27-22)26-17(3)18-9-11-20(12-10-18)31-19-7-5-4-6-8-19/h4-14,16-17,21H,15H2,1-3H3,(H,25,26,27)/t17-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340120
(CHEMBL1760034 | N2-(naphthalen-2-yl)-N4-(3,4,5-tri...)Show SMILES COc1cc(Nc2ncnc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-17(12-19(29-2)20(18)30-3)26-22-24-13-23-21(27-22)25-16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H2,23,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50279397
(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(F)c(C)c2)n1 |r| Show InChI InChI=1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340127
(CHEMBL1760040 | N4-(isoquinolin-3-yl)-N2-(3,4,5-tr...)Show SMILES COc1cc(Nc2nccc(Nc3cc4ccccc4cn3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N5O3/c1-28-17-11-16(12-18(29-2)21(17)30-3)25-22-23-9-8-19(27-22)26-20-10-14-6-4-5-7-15(14)13-24-20/h4-13H,1-3H3,(H2,23,24,25,26,27) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IGF1-induced human IGF1R auto phosphorylation expressed in mouse NIH-3T3 cells preincubated with compound for 1 hr |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426420
(CHEMBL2322027)Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[C+]1[N-]S(=O)(=O)c2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C42H44ClN7O6S3/c1-47(2)21-20-33(29-57-35-9-4-3-5-10-35)44-39-19-17-36(27-40(39)50(51)52)58(53,54)45-42-38-18-16-34(26-41(38)59(55,56)46-42)49-24-22-48(23-25-49)28-31-8-6-7-11-37(31)30-12-14-32(43)15-13-30/h3-19,26-27,33,44-45H,20-25,28-29H2,1-2H3 | PDB
UniProtKB/SwissProt
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 |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM146127
(US8957068, 162)Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1 |r| Show InChI InChI=1S/C24H26N4O3/c1-16(2)21-15-30-24(29)28(21)22-13-14-25-23(27-22)26-17(3)18-9-11-20(12-10-18)31-19-7-5-4-6-8-19/h4-14,16-17,21H,15H2,1-3H3,(H,25,26,27)/t17-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340135
(CHEMBL1760049 | N2-(3,4-dimethoxyphenyl)-N4-(quino...)Show InChI InChI=1S/C21H19N5O2/c1-27-18-8-7-15(12-19(18)28-2)25-21-22-10-9-20(26-21)24-16-11-14-5-3-4-6-17(14)23-13-16/h3-13H,1-2H3,(H2,22,24,25,26) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426417
(CHEMBL2326745)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340121
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IGF1-induced human IGF1R auto phosphorylation expressed in mouse NIH-3T3 cells preincubated with compound for 1 hr |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340143
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1 Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340136
(CHEMBL1760050 | N2-(3,5-dimethoxyphenyl)-N4-(quino...)Show InChI InChI=1S/C21H19N5O2/c1-27-17-10-15(11-18(12-17)28-2)25-21-22-8-7-20(26-21)24-16-9-14-5-3-4-6-19(14)23-13-16/h3-13H,1-2H3,(H2,22,24,25,26) | PDB
MMDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50279397
(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(F)c(C)c2)n1 |r| Show InChI InChI=1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1 | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426413
(CHEMBL2322021)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1 | PDB
MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340142
(CHEMBL1760056 | N2-(4-morpholinophenyl)-N4-(quinol...)Show SMILES C1CN(CCO1)c1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1 Show InChI InChI=1S/C23H22N6O/c1-2-4-21-17(3-1)15-19(16-25-21)26-22-9-10-24-23(28-22)27-18-5-7-20(8-6-18)29-11-13-30-14-12-29/h1-10,15-16H,11-14H2,(H2,24,26,27,28) | PDB
MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426414
(CHEMBL2322020)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF4N7O5S3/c1-54(2)20-16-33(27-62-35-6-4-3-5-7-35)52-39-15-13-36(25-40(39)63(58,59)44(47,48)49)64(60,61)53-42-38-19-23-56(43(57)41(38)50-28-51-42)34-17-21-55(22-18-34)26-30-24-32(46)12-14-37(30)29-8-10-31(45)11-9-29/h3-15,24-25,28,33-34,52H,16-23,26-27H2,1-2H3,(H,50,51,53)/t33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
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PC sid
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PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM146127
(US8957068, 162)Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1 |r| Show InChI InChI=1S/C24H26N4O3/c1-16(2)21-15-30-24(29)28(21)22-13-14-25-23(27-22)26-17(3)18-9-11-20(12-10-18)31-19-7-5-4-6-8-19/h4-14,16-17,21H,15H2,1-3H3,(H,25,26,27)/t17-,21+/m0/s1 | PDB
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| | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50340143
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1 Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32) | PDB
MMDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of INSR |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426417
(CHEMBL2326745)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426421
(CHEMBL2322026)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1nnc2cc(cnn12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C40H43ClN10O4S2/c1-47(2)19-18-32(28-56-34-9-4-3-5-10-34)43-37-17-16-35(25-38(37)51(52)53)57(54,55)46-40-45-44-39-24-33(26-42-50(39)40)49-22-20-48(21-23-49)27-30-8-6-7-11-36(30)29-12-14-31(41)15-13-29/h3-17,24-26,32,43H,18-23,27-28H2,1-2H3,(H,45,46)/t32-/m1/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426418
(CHEMBL2326744)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2CCN(CCn12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H50ClF3N8O4S3/c1-52(2)22-18-34(30-60-36-9-4-3-5-10-36)48-39-17-16-37(28-40(39)61(56,57)43(45,46)47)62(58,59)51-42-50-49-41-21-25-54(26-27-55(41)42)35-19-23-53(24-20-35)29-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-17,28,34-35,48H,18-27,29-30H2,1-2H3,(H,50,51)/t34-/m1/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340118
(CHEMBL1760048 | N4-(3-(trifluoromethoxy)phenyl)-N2...)Show SMILES COc1cc(Nc2nccc(Nc3cccc(OC(F)(F)F)c3)n2)cc(OC)c1OC Show InChI InChI=1S/C20H19F3N4O4/c1-28-15-10-13(11-16(29-2)18(15)30-3)26-19-24-8-7-17(27-19)25-12-5-4-6-14(9-12)31-20(21,22)23/h4-11H,1-3H3,(H2,24,25,26,27) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426413
(CHEMBL2322021)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1 | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426416
(CHEMBL2326746)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/t34-/m1/s1 | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340131
(CHEMBL1760044 | N4-(1H-indazol-5-yl)-N2-(3,4,5-tri...)Show SMILES COc1cc(Nc2nccc(Nc3ccc4[nH]ncc4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C20H20N6O3/c1-27-16-9-14(10-17(28-2)19(16)29-3)24-20-21-7-6-18(25-20)23-13-4-5-15-12(8-13)11-22-26-15/h4-11H,1-3H3,(H,22,26)(H2,21,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426415
(CHEMBL2326747)Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/m1/s1 | PDB
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Similars
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340141
(CHEMBL1760055 | N2-(3-chloro-4-methoxyphenyl)-N4-(...)Show InChI InChI=1S/C20H16ClN5O/c1-27-18-7-6-14(11-16(18)21)25-20-22-9-8-19(26-20)24-15-10-13-4-2-3-5-17(13)23-12-15/h2-12H,1H3,(H2,22,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340144
(CHEMBL1760058 | N2-(3-methoxy-4-(3-(piperidin-1-yl...)Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1OCCCN1CCCCC1 Show InChI InChI=1S/C28H32N6O2/c1-35-26-19-22(10-11-25(26)36-17-7-16-34-14-5-2-6-15-34)32-28-29-13-12-27(33-28)31-23-18-21-8-3-4-9-24(21)30-20-23/h3-4,8-13,18-20H,2,5-7,14-17H2,1H3,(H2,29,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IGF1-induced human IGF1R auto phosphorylation expressed in mouse NIH-3T3 cells preincubated with compound for 1 hr |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340128
(CHEMBL1760041 | N4-(quinolin-6-yl)-N2-(3,4,5-trime...)Show SMILES COc1cc(Nc2nccc(Nc3ccc4ncccc4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N5O3/c1-28-18-12-16(13-19(29-2)21(18)30-3)26-22-24-10-8-20(27-22)25-15-6-7-17-14(11-15)5-4-9-23-17/h4-13H,1-3H3,(H2,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
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PC cid
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UniChem
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PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IGF1-induced human IGF1R auto phosphorylation expressed in mouse NIH-3T3 cells preincubated with compound for 1 hr |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM300426
(US10130622, Example 00005)Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C Show InChI InChI=1S/C26H34FN5O5S/c1-17(2)24-23-22(31-11-9-18(10-12-31)16-37-4)15-21(26(33)30-38(34,35)14-13-36-3)28-25(23)32(29-24)20-7-5-19(27)6-8-20/h5-8,15,17-18H,9-14,16H2,1-4H3,(H,30,33) | PDB
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| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie S.á.r.l.; Galapagos NV
US Patent
| Assay Description
For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft... |
US Patent US10130622 (2018)
BindingDB Entry DOI: 10.7270/Q2KD20ZB |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340138
(CHEMBL1760052 | N2-(3-methoxyphenyl)-N4-(quinolin-...)Show InChI InChI=1S/C20H17N5O/c1-26-17-7-4-6-15(12-17)24-20-21-10-9-19(25-20)23-16-11-14-5-2-3-8-18(14)22-13-16/h2-13H,1H3,(H2,21,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340119
(CHEMBL1760033 | N2-(quinolin-3-yl)-N4-(3,4,5-trime...)Show SMILES COc1cc(Nc2ncnc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C21H20N6O3/c1-28-17-9-14(10-18(29-2)19(17)30-3)25-20-23-12-24-21(27-20)26-15-8-13-6-4-5-7-16(13)22-11-15/h4-12H,1-3H3,(H2,23,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340140
(CHEMBL1760054 | N2-(3-chlorophenyl)-N4-(quinolin-3...)Show InChI InChI=1S/C19H14ClN5/c20-14-5-3-6-15(11-14)24-19-21-9-8-18(25-19)23-16-10-13-4-1-2-7-17(13)22-12-16/h1-12H,(H2,21,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426412
(CHEMBL2322022)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1 | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340123
(CHEMBL1760037 | N4-(2-methylquinolin-3-yl)-N2-(3,4...)Show SMILES COc1cc(Nc2nccc(Nc3cc4ccccc4nc3C)n2)cc(OC)c1OC Show InChI InChI=1S/C23H23N5O3/c1-14-18(11-15-7-5-6-8-17(15)25-14)27-21-9-10-24-23(28-21)26-16-12-19(29-2)22(31-4)20(13-16)30-3/h5-13H,1-4H3,(H2,24,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340137
(CHEMBL1760051 | N2-(4-methoxyphenyl)-N4-(quinolin-...)Show InChI InChI=1S/C20H17N5O/c1-26-17-8-6-15(7-9-17)24-20-21-11-10-19(25-20)23-16-12-14-4-2-3-5-18(14)22-13-16/h2-13H,1H3,(H2,21,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50340129
(CHEMBL1760042 | N4-(quinoxalin-6-yl)-N2-(3,4,5-tri...)Show SMILES COc1cc(Nc2nccc(Nc3ccc4nccnc4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C21H20N6O3/c1-28-17-11-14(12-18(29-2)20(17)30-3)26-21-24-7-6-19(27-21)25-13-4-5-15-16(10-13)23-9-8-22-15/h4-12H,1-3H3,(H2,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426412
(CHEMBL2322022)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426423
(CHEMBL2322024)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1cccc2cc(cnc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClN7O4S2/c1-49(2)22-21-36(31-57-38-11-4-3-5-12-38)47-41-20-19-39(28-43(41)52(53)54)58(55,56)48-42-14-8-10-33-27-37(29-46-44(33)42)51-25-23-50(24-26-51)30-34-9-6-7-13-40(34)32-15-17-35(45)18-16-32/h3-20,27-29,36,47-48H,21-26,30-31H2,1-2H3/t36-/m1/s1 | PDB
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50279397
(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(F)c(C)c2)n1 |r| Show InChI InChI=1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1 | PDB
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426416
(CHEMBL2326746)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/t34-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50458784
(CHEMBL4216196)Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Oc3ccc(F)cc3)cn2)n1 |r| Show InChI InChI=1S/C22H23FN6O3/c1-13(2)18-12-31-22(30)29(18)19-8-9-24-21(28-19)27-14(3)20-25-10-17(11-26-20)32-16-6-4-15(23)5-7-16/h4-11,13-14,18H,12H2,1-3H3,(H,24,27,28)/t14-,18+/m0/s1 | PDB
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| | n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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