Found 438 hits with Last Name = 'feng' and Initial = 'c' 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 |
|---|
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50571802
(CHEMBL4853497)Show SMILES CO[C@H](COc1ccc(cc1)[N+]([O-])=O)n1c(cc2ccc(OC)c(OC)c2c1=O)-c1ccc2OCOc2c1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 761 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERbeta LBD measured after 2 hrs by competitive fluorometric binding assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113583
BindingDB Entry DOI: 10.7270/Q27M0CQZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50571802
(CHEMBL4853497)Show SMILES CO[C@H](COc1ccc(cc1)[N+]([O-])=O)n1c(cc2ccc(OC)c(OC)c2c1=O)-c1ccc2OCOc2c1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERalpha LBD measured after 2 hrs by by competitive fluorometric binding assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113583
BindingDB Entry DOI: 10.7270/Q27M0CQZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50571801
(CHEMBL4878120)Show SMILES CO[C@@H](COc1ccc(cc1)[N+]([O-])=O)n1c(cc2ccc(OC)c(OC)c2c1=O)-c1ccc2OCOc2c1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERalpha LBD measured after 2 hrs by by competitive fluorometric binding assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113583
BindingDB Entry DOI: 10.7270/Q27M0CQZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50571801
(CHEMBL4878120)Show SMILES CO[C@@H](COc1ccc(cc1)[N+]([O-])=O)n1c(cc2ccc(OC)c(OC)c2c1=O)-c1ccc2OCOc2c1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERbeta LBD measured after 2 hrs by competitive fluorometric binding assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113583
BindingDB Entry DOI: 10.7270/Q27M0CQZ |
More data for this
Ligand-Target Pair | |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625349
(US20230322769, Compound 58 | US20230322769, Compou...)Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn3CCCc23)cn1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM8963
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128602
BindingDB Entry DOI: 10.7270/Q2HM5DF5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica
Curated by ChEMBL
| Assay Description
Inhibition of PDE4D (unknown origin) using cAMP as substrate |
J Med Chem 62: 5579-5593 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00518
BindingDB Entry DOI: 10.7270/Q2S75KRZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625352
(US20230322769, Compound 65)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCOCC2)cn1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50615452
(CHEMBL5271151) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625369
(US20230322769, Compound 89)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCN(C)C(=O)C2)cn1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.674 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM625349
(US20230322769, Compound 58 | US20230322769, Compou...)Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn3CCCc23)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625349
(US20230322769, Compound 58 | US20230322769, Compou...)Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn3CCCc23)cn1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM625352
(US20230322769, Compound 65)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCOCC2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]
(Homo sapiens (Human)) | BDBM625351
(US20230322769, Compound 64 | US20230322769, Compou...)Show SMILES COc1ccc(CN2CCCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cc3CCCn3n2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.01 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625351
(US20230322769, Compound 64 | US20230322769, Compou...)Show SMILES COc1ccc(CN2CCCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cc3CCCn3n2)cn1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.02 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]
(Homo sapiens (Human)) | BDBM625349
(US20230322769, Compound 58 | US20230322769, Compou...)Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn3CCCc23)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.09 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625352
(US20230322769, Compound 65)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCOCC2)cn1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 1.09 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625348
(US20230322769, Compound 57 | US20230322769, Compou...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cc3CCCn3n2)cn1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625351
(US20230322769, Compound 64 | US20230322769, Compou...)Show SMILES COc1ccc(CN2CCCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cc3CCCn3n2)cn1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625358
(US20230322769, Compound 78)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(NCC(C)(C)O)cn3ncc(C#N)c23)cn1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625350
(US20230322769, Compound 60 | US20230322769, Compou...)Show SMILES COc1ccc(cn1)C(=O)N1CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cc2CCCn2n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM625338
(US20230322769, Compound 20)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCP(C)(=O)CC2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM625369
(US20230322769, Compound 89)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCN(C)C(=O)C2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM625351
(US20230322769, Compound 64 | US20230322769, Compou...)Show SMILES COc1ccc(CN2CCCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cc3CCCn3n2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625348
(US20230322769, Compound 57 | US20230322769, Compou...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cc3CCCn3n2)cn1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.66 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM625337
(US20230322769, Compound 17)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CC3CC(C2)N3C)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM625342
(US20230322769, Compound 32)Show SMILES COc1ccc(CN2CCCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn(C)c2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.73 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 1.98 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM625348
(US20230322769, Compound 57 | US20230322769, Compou...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cc3CCCn3n2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.05 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 2.07 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625342
(US20230322769, Compound 32)Show SMILES COc1ccc(CN2CCCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn(C)c2)cn1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625338
(US20230322769, Compound 20)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCP(C)(=O)CC2)cn1 | PDB
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TBA
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Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625346
(US20230322769, Compound 51)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn3CCCc23)cn1 | PDB
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Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
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Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625348
(US20230322769, Compound 57 | US20230322769, Compou...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cc3CCCn3n2)cn1 | PDB
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Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625367
(US20230322769, Compound 87 | US20230322769, Compou...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCN(C)CC2)cn1 | PDB
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Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50267307
(CHEMBL4085842)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1cc(ncn1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-28(36)32-22-14-23(26(37-6)16-25(22)34(4)13-12-33(2)3)31-27-15-21(29-18-30-27)20-17-35(5)24-11-9-8-10-19(20)24/h7-11,14-18H,1,12-13H2,2-6H3,(H,32,36)(H,29,30,31) | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Normal University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cytoplasmic GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubated fo... |
Eur J Med Chem 135: 12-23 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.036
BindingDB Entry DOI: 10.7270/Q28P630H |
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM625335
(US20230322769, Compound 16)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CC3CC(C2)N3)cn1 | PDB
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| | n/a | n/a | 2.42 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625373
(US20230322769, Compound 101)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CC[N+](C)([O-])CC2)cn1 | PDB
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Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625350
(US20230322769, Compound 60 | US20230322769, Compou...)Show SMILES COc1ccc(cn1)C(=O)N1CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cc2CCCn2n1 | PDB
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| | n/a | n/a | 2.54 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625337
(US20230322769, Compound 17)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CC3CC(C2)N3C)cn1 | PDB
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| | n/a | n/a | 2.61 | n/a | n/a | n/a | n/a | n/a | n/a |
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Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50615449
(CHEMBL5291434) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM625367
(US20230322769, Compound 87 | US20230322769, Compou...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCN(C)CC2)cn1 | PDB
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| MCE
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| | n/a | n/a | 2.78 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625367
(US20230322769, Compound 87 | US20230322769, Compou...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCN(C)CC2)cn1 | PDB
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Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50235800
(Bambuterol | CHEBI:553827)Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3 | PDB
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Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128602
BindingDB Entry DOI: 10.7270/Q2HM5DF5 |
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Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
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| PDB
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Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells using Ac-Arg-Gly-Lys(Ac)-AMC as fluorescent substrate after 20 mins by fluorescence assay |
Eur J Med Chem 46: 3190-200 (2011)
Article DOI: 10.1016/j.ejmech.2011.04.027
BindingDB Entry DOI: 10.7270/Q2PV6P6P |
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Ligand-Target Pair |
3D Structure (crystal) |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625369
(US20230322769, Compound 89)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCN(C)C(=O)C2)cn1 | PDB
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| | n/a | n/a | 3.04 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50267306
(CHEMBL4096021)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1cc(ncn1)-c1cn2CCCc3cccc1c23 Show InChI InChI=1S/C30H35N7O2/c1-6-29(38)34-24-15-25(27(39-5)17-26(24)36(4)14-13-35(2)3)33-28-16-23(31-19-32-28)22-18-37-12-8-10-20-9-7-11-21(22)30(20)37/h6-7,9,11,15-19H,1,8,10,12-14H2,2-5H3,(H,34,38)(H,31,32,33) | PDB
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| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Normal University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cytoplasmic GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubated fo... |
Eur J Med Chem 135: 12-23 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.036
BindingDB Entry DOI: 10.7270/Q28P630H |
More data for this
Ligand-Target Pair | |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM625342
(US20230322769, Compound 32)Show SMILES COc1ccc(CN2CCCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn(C)c2)cn1 | PDB
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| | n/a | n/a | 3.13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50615454
(CHEMBL5269747) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| UniChem
| | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
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