Found 1366 hits with Last Name = 'box' and Initial = 'm' 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 |
|---|
ATP-dependent 6-phosphofructokinase
(Trypanosoma brucei) | BDBM50446088
(CHEMBL3108870)Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nncs2)cc1Cl Show InChI InChI=1S/C16H12ClFN4O3S2/c17-13-7-10(1-6-14(13)18)8-15(23)20-11-2-4-12(5-3-11)27(24,25)22-16-21-19-9-26-16/h1-7,9H,8H2,(H,20,23)(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Competitive inhibition Trypanosoma brucei PFK using fructose-6-phosphate as substrate by Line-weaver Burk plot analysis |
ACS Med Chem Lett 5: 12-7 (2014)
Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7 |
More data for this
Ligand-Target Pair | |
ATP-dependent 6-phosphofructokinase
(Trypanosoma brucei) | BDBM50446088
(CHEMBL3108870)Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nncs2)cc1Cl Show InChI InChI=1S/C16H12ClFN4O3S2/c17-13-7-10(1-6-14(13)18)8-15(23)20-11-2-4-12(5-3-11)27(24,25)22-16-21-19-9-26-16/h1-7,9H,8H2,(H,20,23)(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Mixed type inhibition Trypanosoma brucei PFK using ATP as substrate by Line-weaver Burk plot analysis |
ACS Med Chem Lett 5: 12-7 (2014)
Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM112499
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606282
(CHEMBL5204505 | US20230287003, Example 12p)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@@H](CO)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50029670
(CHEMBL2426277 | US10227342, Example 26)Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C26H27ClN8O2/c1-4-24(36)30-19-13-20(23(37-3)14-22(19)34-11-9-33(2)10-12-34)31-26-28-16-18(27)25(32-26)17-15-29-35-8-6-5-7-21(17)35/h4-8,13-16H,1,9-12H2,2-3H3,(H,30,36)(H,28,31,32) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IGF1R (unknown origin) |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a
BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606290
(CHEMBL5205388 | US20230287003, Example 13d)Show SMILES C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606295
(CHEMBL5171519)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC[C@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606291
(CHEMBL5196650 | US20230287003, Example 13e)Show SMILES C[C@@H]1C[C@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606287
(CHEMBL5194697)Show SMILES C[C@@H]1C[C@@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)NC(C)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606294
(CHEMBL5181921)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC[C@@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606288
(CHEMBL5193571)Show SMILES C[C@H]1C[C@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)N(C)C |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606284
(CHEMBL5208698)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606289
(CHEMBL5205838)Show SMILES C[C@@H]1C[C@@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)N(C)C |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606280
(CHEMBL5205212)Show SMILES C[C@H]1C[C@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)NC(C)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50029667
(CHEMBL2426288)Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C24H24ClN7O2/c1-31(2)11-6-8-22(33)28-16-9-10-21(34-3)19(13-16)29-24-26-15-18(25)23(30-24)17-14-27-32-12-5-4-7-20(17)32/h4-10,12-15H,11H2,1-3H3,(H,28,33)(H,26,29,30)/b8-6+ | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IGF1R (unknown origin) |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a
BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606281
(CHEMBL5203177 | US20230287003, Example 12q)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@H](CO)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606283
(CHEMBL5174171)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493289
(CHEMBL2426278)Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C27H28ClN7O2/c1-4-25(36)31-21-13-22(24(37-3)14-23(21)35-11-9-34(2)10-12-35)32-27-30-16-19(28)26(33-27)18-15-29-20-8-6-5-7-17(18)20/h4-8,13-16,29H,1,9-12H2,2-3H3,(H,31,36)(H,30,32,33) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606293
(CHEMBL5171631)Show SMILES C[C@H]1C[C@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50029685
(CHEMBL3353404 | US10227342, Example 52)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C26H29ClN8O2/c1-6-24(36)30-19-13-20(23(37-5)14-22(19)34(4)12-11-33(2)3)31-26-28-16-18(27)25(32-26)17-15-29-35-10-8-7-9-21(17)35/h6-10,13-16H,1,11-12H2,2-5H3,(H,30,36)(H,28,31,32) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IGF1R (unknown origin) |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a
BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50029684
(CHEMBL3353403)Show SMILES COc1cc(N2CC[C@H](C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 |r| Show InChI InChI=1S/C27H29ClN8O2/c1-5-25(37)31-20-12-21(24(38-4)13-23(20)35-11-9-17(16-35)34(2)3)32-27-29-15-19(28)26(33-27)18-14-30-36-10-7-6-8-22(18)36/h5-8,10,12-15,17H,1,9,11,16H2,2-4H3,(H,31,37)(H,29,32,33)/t17-/m1/s1 | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IGF1R (unknown origin) |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a
BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50425387
(CHEMBL2311806)Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34) | PDB
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National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Insulin receptor
(Homo sapiens (Human)) | BDBM50029685
(CHEMBL3353404 | US10227342, Example 52)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C26H29ClN8O2/c1-6-24(36)30-19-13-20(23(37-5)14-22(19)34(4)12-11-33(2)3)31-26-28-16-18(27)25(32-26)17-15-29-35-10-8-7-9-21(17)35/h6-10,13-16H,1,11-12H2,2-5H3,(H,30,36)(H,28,31,32) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of INSR (unknown origin) |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a
BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606292
(CHEMBL5180823)Show SMILES C[C@@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50425385
(CHEMBL2311807)Show SMILES Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H22FN7O/c1-17-5-6-19(10-25(17)34-27-30-9-7-24(33-27)20-4-3-8-29-14-20)26(36)32-22-11-21(28)12-23(13-22)35-15-18(2)31-16-35/h3-16H,1-2H3,(H,32,36)(H,30,33,34) | PDB
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National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM112499
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+ | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029669
(CHEMBL2426279)Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C27H29N7O2/c1-4-26(35)30-22-15-23(25(36-3)16-24(22)34-13-11-33(2)12-14-34)32-27-28-10-9-21(31-27)19-17-29-20-8-6-5-7-18(19)20/h4-10,15-17,29H,1,11-14H2,2-3H3,(H,30,35)(H,28,31,32) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a
BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this
Ligand-Target Pair | |
ATP-dependent 6-phosphofructokinase
(Trypanosoma brucei) | BDBM50446088
(CHEMBL3108870)Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nncs2)cc1Cl Show InChI InChI=1S/C16H12ClFN4O3S2/c17-13-7-10(1-6-14(13)18)8-15(23)20-11-2-4-12(5-3-11)27(24,25)22-16-21-19-9-26-16/h1-7,9H,8H2,(H,20,23)(H,21,22) | PDB
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National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay |
ACS Med Chem Lett 5: 12-7 (2014)
Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50425387
(CHEMBL2311806)Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR2 using KKSRGDYMTMQIG peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029669
(CHEMBL2426279)Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C27H29N7O2/c1-4-26(35)30-22-15-23(25(36-3)16-24(22)34-13-11-33(2)12-14-34)32-27-28-10-9-21(31-27)19-17-29-20-8-6-5-7-18(19)20/h4-10,15-17,29H,1,11-14H2,2-3H3,(H,30,35)(H,28,31,32) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029670
(CHEMBL2426277 | US10227342, Example 26)Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C26H27ClN8O2/c1-4-24(36)30-19-13-20(23(37-3)14-22(19)34-11-9-33(2)10-12-34)31-26-28-16-18(27)25(32-26)17-15-29-35-8-6-5-7-21(17)35/h4-8,13-16H,1,9-12H2,2-3H3,(H,30,36)(H,28,31,32) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029670
(CHEMBL2426277 | US10227342, Example 26)Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C26H27ClN8O2/c1-4-24(36)30-19-13-20(23(37-3)14-22(19)34-11-9-33(2)10-12-34)31-26-28-16-18(27)25(32-26)17-15-29-35-8-6-5-7-21(17)35/h4-8,13-16H,1,9-12H2,2-3H3,(H,30,36)(H,28,31,32) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a
BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50029684
(CHEMBL3353403)Show SMILES COc1cc(N2CC[C@H](C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 |r| Show InChI InChI=1S/C27H29ClN8O2/c1-5-25(37)31-20-12-21(24(38-4)13-23(20)35-11-9-17(16-35)34(2)3)32-27-29-15-19(28)26(33-27)18-14-30-36-10-7-6-8-22(18)36/h5-8,10,12-15,17H,1,9,11,16H2,2-4H3,(H,31,37)(H,29,32,33)/t17-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of INSR (unknown origin) |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a
BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493288
(CHEMBL2426282)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H18ClN5O2/c1-3-20(29)26-13-8-9-19(30-2)18(10-13)27-22-25-12-16(23)21(28-22)15-11-24-17-7-5-4-6-14(15)17/h3-12,24H,1H2,2H3,(H,26,29)(H,25,27,28) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493289
(CHEMBL2426278)Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C27H28ClN7O2/c1-4-25(36)31-21-13-22(24(37-3)14-23(21)35-11-9-34(2)10-12-35)32-27-30-16-19(28)26(33-27)18-15-29-20-8-6-5-7-17(18)20/h4-8,13-16,29H,1,9-12H2,2-3H3,(H,31,36)(H,30,32,33) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
ATP-dependent 6-phosphofructokinase
(Trypanosoma brucei) | BDBM50446090
(CHEMBL3108868)Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1Cl Show InChI InChI=1S/C17H13ClFN3O3S2/c18-14-9-11(1-6-15(14)19)10-16(23)21-12-2-4-13(5-3-12)27(24,25)22-17-20-7-8-26-17/h1-9H,10H2,(H,20,22)(H,21,23) | PDB
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National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay |
ACS Med Chem Lett 5: 12-7 (2014)
Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606297
(CHEMBL5172688)Show SMILES C[C@@H]1CCCN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50029686
(CHEMBL3353405 | US10227342, Example 25)Show SMILES COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C26H27ClN8O2/c1-5-24(36)30-19-10-20(23(37-4)11-22(19)34-14-16(15-34)33(2)3)31-26-28-13-18(27)25(32-26)17-12-29-35-9-7-6-8-21(17)35/h5-13,16H,1,14-15H2,2-4H3,(H,30,36)(H,28,31,32) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IGF1R (unknown origin) |
J Med Chem 57: 8249-67 (2014)
Article DOI: 10.1021/jm500973a
BindingDB Entry DOI: 10.7270/Q2ZS2Z4C |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50425385
(CHEMBL2311807)Show SMILES Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H22FN7O/c1-17-5-6-19(10-25(17)34-27-30-9-7-24(33-27)20-4-3-8-29-14-20)26(36)32-22-11-21(28)12-23(13-22)35-15-18(2)31-16-35/h3-16H,1-2H3,(H,32,36)(H,30,33,34) | PDB
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National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493288
(CHEMBL2426282)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H18ClN5O2/c1-3-20(29)26-13-8-9-19(30-2)18(10-13)27-22-25-12-16(23)21(28-22)15-11-24-17-7-5-4-6-14(15)17/h3-12,24H,1H2,2H3,(H,26,29)(H,25,27,28) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay |
J Med Chem 56: 7025-48 (2013)
Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM228659
((+)-2-(2-(1H-Benzo[d]imidazol-1-yl)-N-(3-fluorophe...)Show SMILES Cc1ccccc1[C@@H](N(C(=O)Cn1cnc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C29H29FN4O2/c1-20-9-2-5-14-24(20)28(29(36)32-22-11-3-4-12-22)34(23-13-8-10-21(30)17-23)27(35)18-33-19-31-25-15-6-7-16-26(25)33/h2,5-10,13-17,19,22,28H,3-4,11-12,18H2,1H3,(H,32,36)/t28-/m1/s1 | PDB
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National Institutes of Health
| Assay Description
The activity of IDH1 R132H and IDH1 R132C was measured in 384-well plates by coupling NADPH consumption to a diaphorase/resazurin-based detection sys... |
J Biol Chem 289: 13717-25 (2014)
Article DOI: 10.1074/jbc.M113.511030
BindingDB Entry DOI: 10.7270/Q2513X35 |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50196500
(CHEMBL224754 | trimethyl(2-{6,8,17,19-tetraoxo-18-...)Show SMILES C[N+](C)(C)CCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CC[N+](C)(C)C)c5=O Show InChI InChI=1S/C34H34N4O4/c1-37(2,3)17-15-35-31(39)23-11-7-19-21-9-13-25-30-26(34(42)36(33(25)41)16-18-38(4,5)6)14-10-22(28(21)30)20-8-12-24(32(35)40)29(23)27(19)20/h7-14H,15-18H2,1-6H3/q+2 | PDB
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University of Padova
Curated by ChEMBL
| Assay Description
Inhibition of telomerase in JR8 cell extract by TRAP assay |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029
BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50425386
(CHEMBL2311808)Show SMILES Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H23N7O/c1-18-8-9-20(26(35)31-22-6-3-7-23(14-22)34-16-19(2)30-17-34)13-25(18)33-27-29-12-10-24(32-27)21-5-4-11-28-15-21/h3-17H,1-2H3,(H,31,35)(H,29,32,33) | PDB
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National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111
BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this
Ligand-Target Pair | |
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