Found 14 hits with Last Name = 'merget' and Initial = 'b' 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 |
|---|
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50456109
(CHEMBL4212119)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(F)cc2)n1 Show InChI InChI=1S/C20H24FN7S/c1-14-11-18(26-25-14)22-17-12-19(28-9-7-27(2)8-10-28)24-20(23-17)29-13-15-3-5-16(21)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,23,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Antagonist activity at C-terminal PK-fused human full length TrkA assessed as inhibition of betaNGF-induced protein binding to Shc1-EA by beta-galact... |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50456110
(CHEMBL4216563)Show SMILES CN1CCN(CC1)c1cc(Nc2cc([nH]n2)-c2cccc(F)c2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C24H24FN7S/c1-31-10-12-32(13-11-31)23-16-21(27-24(28-23)33-19-8-3-2-4-9-19)26-22-15-20(29-30-22)17-6-5-7-18(25)14-17/h2-9,14-16H,10-13H2,1H3,(H2,26,27,28,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Antagonist activity at C-terminal PK-fused human full length TrkA assessed as inhibition of betaNGF-induced protein binding to Shc1-EA by beta-galact... |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50456108
(CHEMBL4216458)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C19H23N7S/c1-14-12-17(24-23-14)20-16-13-18(26-10-8-25(2)9-11-26)22-19(21-16)27-15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3,(H2,20,21,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length TrkA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50456109
(CHEMBL4212119)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(F)cc2)n1 Show InChI InChI=1S/C20H24FN7S/c1-14-11-18(26-25-14)22-17-12-19(28-9-7-27(2)8-10-28)24-20(23-17)29-13-15-3-5-16(21)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,23,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length TrkA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50456108
(CHEMBL4216458)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C19H23N7S/c1-14-12-17(24-23-14)20-16-13-18(26-10-8-25(2)9-11-26)22-19(21-16)27-15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3,(H2,20,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length AURKA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50456110
(CHEMBL4216563)Show SMILES CN1CCN(CC1)c1cc(Nc2cc([nH]n2)-c2cccc(F)c2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C24H24FN7S/c1-31-10-12-32(13-11-31)23-16-21(27-24(28-23)33-19-8-3-2-4-9-19)26-22-15-20(29-30-22)17-6-5-7-18(25)14-17/h2-9,14-16H,10-13H2,1H3,(H2,26,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length AURKA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50456109
(CHEMBL4212119)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(F)cc2)n1 Show InChI InChI=1S/C20H24FN7S/c1-14-11-18(26-25-14)22-17-12-19(28-9-7-27(2)8-10-28)24-20(23-17)29-13-15-3-5-16(21)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length AURKA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50456107
(CHEMBL4204878)Show SMILES CN1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CCCC2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C23H29N7S/c1-29-11-13-30(14-12-29)22-16-20(25-23(26-22)31-18-9-3-2-4-10-18)24-21-15-19(27-28-21)17-7-5-6-8-17/h2-4,9-10,15-17H,5-8,11-14H2,1H3,(H2,24,25,26,27,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length TrkA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50004205
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length TrkA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50456111
(CHEMBL4217093)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(C)cc2)n1 Show InChI InChI=1S/C21H27N7S/c1-15-4-6-17(7-5-15)14-29-21-23-18(22-19-12-16(2)25-26-19)13-20(24-21)28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,22,23,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length TrkA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50456110
(CHEMBL4216563)Show SMILES CN1CCN(CC1)c1cc(Nc2cc([nH]n2)-c2cccc(F)c2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C24H24FN7S/c1-31-10-12-32(13-11-31)23-16-21(27-24(28-23)33-19-8-3-2-4-9-19)26-22-15-20(29-30-22)17-6-5-7-18(25)14-17/h2-9,14-16H,10-13H2,1H3,(H2,26,27,28,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length TrkA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004205
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length AURKA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50456107
(CHEMBL4204878)Show SMILES CN1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CCCC2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C23H29N7S/c1-29-11-13-30(14-12-29)22-16-20(25-23(26-22)31-18-9-3-2-4-10-18)24-21-15-19(27-28-21)17-7-5-6-8-17/h2-4,9-10,15-17H,5-8,11-14H2,1H3,(H2,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length AURKA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50456111
(CHEMBL4217093)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(C)cc2)n1 Show InChI InChI=1S/C21H27N7S/c1-15-4-6-17(7-5-15)14-29-21-23-18(22-19-12-16(2)25-26-19)13-20(24-21)28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,22,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
Heidelberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged human partial length AURKA expressed in mammalian expression system by qPCR method |
J Med Chem 61: 4851-4859 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00140
BindingDB Entry DOI: 10.7270/Q25H7JVT |
More data for this
Ligand-Target Pair | |
Search and Browse
