Found 7 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM226354' 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)) | BDBM226354
(US9328096, 47)Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| PDB
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
Antagonist activity at unphosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mi... |
J Med Chem 62: 247-265 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Rattus norvegicus) | BDBM226354
(US9328096, 47)Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
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 unphosphorylated rat TrkA expressed in baculovirus expression system preincubated for 20 mins followed by TK-substrate-Biotin ... |
J Med Chem 62: 247-265 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM226354
(US9328096, 47)Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
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 prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas... |
J Med Chem 62: 247-265 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM226354
(US9328096, 47)Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114601
BindingDB Entry DOI: 10.7270/Q2125XMR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Rattus norvegicus) | BDBM226354
(US9328096, 47)Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at TrkA in rat DRG assessed as inhibition of NGF-induced ERK phosphorylation preincubated for 60 mins followed by NGF addition an... |
J Med Chem 62: 247-265 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM226354
(US9328096, 47)Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at phosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mins... |
J Med Chem 62: 247-265 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM226354
(US9328096, 47)Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to C-terminal-His6/N-terminal BAP-tagged unphosphorylated TrkA (unknown origin) (441 to 796 residues) by SPR analysis |
J Med Chem 62: 247-265 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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