Found 117 hits with Last Name = 'sexton' and Initial = 'ke' 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 |
|---|
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382322
(CHEMBL2024689)Show SMILES CCc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1 Show InChI InChI=1S/C20H19N5O/c1-4-15-11-18(25(23-15)19-7-5-6-13(2)22-19)14-8-9-17-16(10-14)20(26)24(3)12-21-17/h5-12H,4H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382321
(CHEMBL2024688)Show SMILES Cc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1 Show InChI InChI=1S/C18H15N5O/c1-11-9-21-23(16-5-3-4-12(2)22-16)17(11)13-6-7-15-14(8-13)18(24)20-10-19-15/h3-10H,1-2H3,(H,19,20,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382324
(CHEMBL2024691)Show SMILES CCc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1 Show InChI InChI=1S/C19H17N5O/c1-3-13-10-22-24(17-6-4-5-12(2)23-17)18(13)14-7-8-16-15(9-14)19(25)21-11-20-16/h4-11H,3H2,1-2H3,(H,20,21,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382320
(CHEMBL2024687)Show SMILES Cc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1 Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-18(21-12)24-17(9-13(2)22-24)14-7-8-16-15(10-14)19(25)23(3)11-20-16/h4-11H,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382318
(CHEMBL2024685)Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C=C)c(=O)c2c1 Show InChI InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382319
(CHEMBL2024686)Show SMILES Cc1cnn(c1-c1ccc2ncn(C)c(=O)c2c1)-c1cccc(C)n1 Show InChI InChI=1S/C19H17N5O/c1-12-10-21-24(17-6-4-5-13(2)22-17)18(12)14-7-8-16-15(9-14)19(25)23(3)11-20-16/h4-11H,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382325
(CHEMBL2024693)Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1ccc2nc[nH]c(=O)c2c1 Show InChI InChI=1S/C20H17N5O/c1-12-4-2-7-18(23-12)25-19(14-5-3-6-17(14)24-25)13-8-9-16-15(10-13)20(26)22-11-21-16/h2,4,7-11H,3,5-6H2,1H3,(H,21,22,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382323
(CHEMBL2024690)Show InChI InChI=1S/C17H13N5O/c1-11-3-2-4-16(21-11)22-15(7-8-20-22)12-5-6-14-13(9-12)17(23)19-10-18-14/h2-10H,1H3,(H,18,19,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353536
(CHEMBL1830778)Show SMILES CCCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C19H23F3N2O2/c1-5-6-12(2)24-11-18(3,4)16(17(24)25)26-14-8-7-13(10-23)15(9-14)19(20,21)22/h7-9,12,16H,5-6,11H2,1-4H3 | PDB
MMDB
NCI pathway
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM112498
(US8623883, No. 1)Show SMILES FCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C25H26ClF2N5O2/c26-19-13-17(6-7-20(19)28)31-25-18-14-22(23(35-12-8-27)15-21(18)29-16-30-25)32-24(34)5-4-11-33-9-2-1-3-10-33/h4-7,13-16H,1-3,8-12H2,(H,32,34)(H,29,30,31)/b5-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6.44 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Warner-Lambert Company LLC
US Patent
| Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ... |
US Patent US8623883 (2014)
BindingDB Entry DOI: 10.7270/Q29885P7 |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
US Patent
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Warner-Lambert Company LLC
US Patent
| Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ... |
US Patent US8623883 (2014)
BindingDB Entry DOI: 10.7270/Q29885P7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM112500
(US8623883, No. 6)Show SMILES FC(F)COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C25H25ClF3N5O2/c26-18-11-16(6-7-19(18)27)32-25-17-12-21(22(36-14-23(28)29)13-20(17)30-15-31-25)33-24(35)5-4-10-34-8-2-1-3-9-34/h4-7,11-13,15,23H,1-3,8-10,14H2,(H,33,35)(H,30,31,32)/b5-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9.87 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Warner-Lambert Company LLC
US Patent
| Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ... |
US Patent US8623883 (2014)
BindingDB Entry DOI: 10.7270/Q29885P7 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353537
(CHEMBL1830775)Show SMILES CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-4-5-8-23-11-17(2,3)15(16(23)24)25-13-7-6-12(10-22)14(9-13)18(19,20)21/h6-7,9,15H,4-5,8,11H2,1-3H3 | PDB
MMDB
NCI pathway
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353537
(CHEMBL1830775)Show SMILES CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-4-5-8-23-11-17(2,3)15(16(23)24)25-13-7-6-12(10-22)14(9-13)18(19,20)21/h6-7,9,15H,4-5,8,11H2,1-3H3 | PDB
MMDB
NCI pathway
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319611
((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...)Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353538
(CHEMBL1830944)Show SMILES CC1(C)CN(Cc2cccc(O)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-4-3-5-15(27)8-13)19(28)18(20)29-16-7-6-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319611
((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...)Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM112501
(US8623883, No. 7)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C30H36ClFN6O3/c31-24-18-22(7-8-25(24)32)35-30-23-19-27(36-29(39)6-4-11-37-9-2-1-3-10-37)28(20-26(23)33-21-34-30)41-15-5-12-38-13-16-40-17-14-38/h4,6-8,18-21H,1-3,5,9-17H2,(H,36,39)(H,33,34,35)/b6-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11.3 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Warner-Lambert Company LLC
US Patent
| Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ... |
US Patent US8623883 (2014)
BindingDB Entry DOI: 10.7270/Q29885P7 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM112504
(US8623883, No. 10)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCCC1 Show InChI InChI=1S/C25H27ClFN5O2/c1-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-2-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12.1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Warner-Lambert Company LLC
US Patent
| Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ... |
US Patent US8623883 (2014)
BindingDB Entry DOI: 10.7270/Q29885P7 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353539
(CHEMBL1830943)Show SMILES CC1(C)CN(Cc2ccccc2O)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-14-5-3-4-6-17(14)27)19(28)18(20)29-15-8-7-13(10-25)16(9-15)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382317
(CHEMBL2024684)Show InChI InChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(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
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| US Patent
| n/a | n/a | 16.7 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Warner-Lambert Company LLC
US Patent
| Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ... |
US Patent US8623883 (2014)
BindingDB Entry DOI: 10.7270/Q29885P7 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353540
(CHEMBL1830945)Show SMILES CC1(C)CN(Cc2ccc(O)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-3-6-15(27)7-4-13)19(28)18(20)29-16-8-5-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353539
(CHEMBL1830943)Show SMILES CC1(C)CN(Cc2ccccc2O)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-14-5-3-4-6-17(14)27)19(28)18(20)29-15-8-7-13(10-25)16(9-15)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM112503
(US8623883, No. 9)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1 Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-17(24(29-14-28-20)30-16-4-5-19(27)18(25)11-16)12-21(22)31-23(33)3-2-8-32-9-6-15(26)7-10-32/h2-5,11-15H,6-10H2,1H3,(H,31,33)(H,28,29,30)/b3-2+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 18.1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Warner-Lambert Company LLC
US Patent
| Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ... |
US Patent US8623883 (2014)
BindingDB Entry DOI: 10.7270/Q29885P7 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353541
(CHEMBL1830774)Show SMILES CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H19F3N2O2/c1-4-7-22-10-16(2,3)14(15(22)23)24-12-6-5-11(9-21)13(8-12)17(18,19)20/h5-6,8,14H,4,7,10H2,1-3H3 | PDB
MMDB
NCI pathway
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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353541
(CHEMBL1830774)Show SMILES CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H19F3N2O2/c1-4-7-22-10-16(2,3)14(15(22)23)24-12-6-5-11(9-21)13(8-12)17(18,19)20/h5-6,8,14H,4,7,10H2,1-3H3 | PDB
MMDB
NCI pathway
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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319612
((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...)Show SMILES CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r| Show InChI InChI=1S/C22H21F3N2O2S/c1-21(2)13-27(12-14-4-8-17(30-3)9-5-14)20(28)19(21)29-16-7-6-15(11-26)18(10-16)22(23,24)25/h4-10,19H,12-13H2,1-3H3/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319612
((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...)Show SMILES CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r| Show InChI InChI=1S/C22H21F3N2O2S/c1-21(2)13-27(12-14-4-8-17(30-3)9-5-14)20(28)19(21)29-16-7-6-15(11-26)18(10-16)22(23,24)25/h4-10,19H,12-13H2,1-3H3/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319611
((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...)Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319611
((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...)Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353540
(CHEMBL1830945)Show SMILES CC1(C)CN(Cc2ccc(O)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-3-6-15(27)7-4-13)19(28)18(20)29-16-8-5-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353542
(CHEMBL1830779)Show SMILES CCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-5-11(2)23-10-17(3,4)15(16(23)24)25-13-7-6-12(9-22)14(8-13)18(19,20)21/h6-8,11,15H,5,10H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353543
(CHEMBL1830954)Show SMILES CC1(C)CN(Cc2noc(n2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N4O3/c1-22(2)13-30(12-18-28-20(33-29-18)14-6-4-3-5-7-14)21(31)19(22)32-16-9-8-15(11-27)17(10-16)23(24,25)26/h3-10,19H,12-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM112504
(US8623883, No. 10)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCCC1 Show InChI InChI=1S/C25H27ClFN5O2/c1-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-2-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 41.3 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Warner-Lambert Company LLC
US Patent
| Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ... |
US Patent US8623883 (2014)
BindingDB Entry DOI: 10.7270/Q29885P7 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353544
(CHEMBL1830769)Show SMILES CC1(C)COC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H12F3NO3/c1-13(2)7-20-12(19)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353545
(CHEMBL1830952)Show SMILES CC1(C)CN(Cc2nc3ccccc3s2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H18F3N3O2S/c1-21(2)12-28(11-18-27-16-5-3-4-6-17(16)31-18)20(29)19(21)30-14-8-7-13(10-26)15(9-14)22(23,24)25/h3-9,19H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Mus musculus) | BDBM50382318
(CHEMBL2024685)Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C=C)c(=O)c2c1 Show InChI InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319613
((R)-(+)-4-(1-(2-Fluorobenzyl)-4,4-dimethyl-2-oxopy...)Show SMILES CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-14-5-3-4-6-17(14)22)19(28)18(20)29-15-8-7-13(10-26)16(9-15)21(23,24)25/h3-9,18H,11-12H2,1-2H3/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319613
((R)-(+)-4-(1-(2-Fluorobenzyl)-4,4-dimethyl-2-oxopy...)Show SMILES CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-14-5-3-4-6-17(14)22)19(28)18(20)29-15-8-7-13(10-26)16(9-15)21(23,24)25/h3-9,18H,11-12H2,1-2H3/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM112502
(US8623883, No. 8)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC(F)C1 Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-12-20-17(24(29-14-28-20)30-16-6-7-19(27)18(25)10-16)11-21(22)31-23(33)5-3-9-32-8-2-4-15(26)13-32/h3,5-7,10-12,14-15H,2,4,8-9,13H2,1H3,(H,31,33)(H,28,29,30)/b5-3+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45.3 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Warner-Lambert Company LLC
US Patent
| Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ... |
US Patent US8623883 (2014)
BindingDB Entry DOI: 10.7270/Q29885P7 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Mus musculus) | BDBM50382325
(CHEMBL2024693)Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1ccc2nc[nH]c(=O)c2c1 Show InChI InChI=1S/C20H17N5O/c1-12-4-2-7-18(23-12)25-19(14-5-3-6-17(14)24-25)13-8-9-16-15(10-13)20(26)22-11-21-16/h2,4,7-11H,3,5-6H2,1H3,(H,21,22,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Mus musculus) | BDBM50382324
(CHEMBL2024691)Show SMILES CCc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1 Show InChI InChI=1S/C19H17N5O/c1-3-13-10-22-24(17-6-4-5-12(2)23-17)18(13)14-7-8-16-15(9-14)19(25)21-11-20-16/h4-11H,3H2,1-2H3,(H,20,21,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353546
(CHEMBL1830941)Show SMILES CC1(C)CN(Cc2cccc(F)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-13-4-3-5-15(22)8-13)19(28)18(20)29-16-7-6-14(10-26)17(9-16)21(23,24)25/h3-9,18H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353545
(CHEMBL1830952)Show SMILES CC1(C)CN(Cc2nc3ccccc3s2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H18F3N3O2S/c1-21(2)12-28(11-18-27-16-5-3-4-6-17(16)31-18)20(29)19(21)30-14-8-7-13(10-26)15(9-14)22(23,24)25/h3-9,19H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353547
(CHEMBL1830955)Show SMILES CC1(C)CN(Cc2nc(no2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N4O3/c1-22(2)13-30(12-18-28-20(29-33-18)14-6-4-3-5-7-14)21(31)19(22)32-16-9-8-15(11-27)17(10-16)23(24,25)26/h3-10,19H,12-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Activin receptor type-1B
(Homo sapiens (Human)) | BDBM50382317
(CHEMBL2024684)Show InChI InChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK4 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353546
(CHEMBL1830941)Show SMILES CC1(C)CN(Cc2cccc(F)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-13-4-3-5-15(22)8-13)19(28)18(20)29-16-7-6-14(10-26)17(9-16)21(23,24)25/h3-9,18H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Mus musculus) | BDBM50382321
(CHEMBL2024688)Show SMILES Cc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1 Show InChI InChI=1S/C18H15N5O/c1-11-9-21-23(16-5-3-4-12(2)22-16)17(11)13-6-7-15-14(8-13)18(24)20-10-19-15/h3-10H,1-2H3,(H,19,20,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM112501
(US8623883, No. 7)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C30H36ClFN6O3/c31-24-18-22(7-8-25(24)32)35-30-23-19-27(36-29(39)6-4-11-37-9-2-1-3-10-37)28(20-26(23)33-21-34-30)41-15-5-12-38-13-16-40-17-14-38/h4,6-8,18-21H,1-3,5,9-17H2,(H,36,39)(H,33,34,35)/b6-4+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 61.5 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Warner-Lambert Company LLC
US Patent
| Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ... |
US Patent US8623883 (2014)
BindingDB Entry DOI: 10.7270/Q29885P7 |
More data for this
Ligand-Target Pair | |
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