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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM164885'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164885
PNG
(US10166239, Ex. 3-1 | US11406644, Example 3-1 | US...)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C27H27N5O3/c1-31-16-21(14-29-31)20-7-10-24-23(13-20)30-27(28)32(24)15-19-6-11-25(26(12-19)34-3)35-17-18-4-8-22(33-2)9-5-18/h4-14,16H,15,17H2,1-3H3,(H2,28,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human TrkA cytoplasmic domain (436 to 790 amino acids) pre-incubated for 15 mins before peptide substrate additio...


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164885
PNG
(US10166239, Ex. 3-1 | US11406644, Example 3-1 | US...)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C27H27N5O3/c1-31-16-21(14-29-31)20-7-10-24-23(13-20)30-27(28)32(24)15-19-6-11-25(26(12-19)34-3)35-17-18-4-8-22(33-2)9-5-18/h4-14,16H,15,17H2,1-3H3,(H2,28,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CV4MZ5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164885
PNG
(US10166239, Ex. 3-1 | US11406644, Example 3-1 | US...)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C27H27N5O3/c1-31-16-21(14-29-31)20-7-10-24-23(13-20)30-27(28)32(24)15-19-6-11-25(26(12-19)34-3)35-17-18-4-8-22(33-2)9-5-18/h4-14,16H,15,17H2,1-3H3,(H2,28,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)


BindingDB Entry DOI: 10.7270/Q2S184KD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164885
PNG
(US10166239, Ex. 3-1 | US11406644, Example 3-1 | US...)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C27H27N5O3/c1-31-16-21(14-29-31)20-7-10-24-23(13-20)30-27(28)32(24)15-19-6-11-25(26(12-19)34-3)35-17-18-4-8-22(33-2)9-5-18/h4-14,16H,15,17H2,1-3H3,(H2,28,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164885
PNG
(US10166239, Ex. 3-1 | US11406644, Example 3-1 | US...)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C27H27N5O3/c1-31-16-21(14-29-31)20-7-10-24-23(13-20)30-27(28)32(24)15-19-6-11-25(26(12-19)34-3)35-17-18-4-8-22(33-2)9-5-18/h4-14,16H,15,17H2,1-3H3,(H2,28,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)


BindingDB Entry DOI: 10.7270/Q2WW7KSN
More data for this
Ligand-Target Pair