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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'kwon' and Initial = 'jy'   
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
Growth factor receptor-bound protein 2


(Homo sapiens (Human))
BDBM50241558
PNG
(8-O-methylsclerotiorinamine | CHEMBL487793)
Show SMILES CCC(C)\C=C(/C)\C=C\c1cc2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(OC)=c2cn1 |r,c:11,24|
Show InChI InChI=1S/C22H26ClNO4/c1-7-13(2)10-14(3)8-9-16-11-17-18(12-24-16)21(27-6)22(5,28-15(4)25)20(26)19(17)23/h8-13H,7H2,1-6H3/b9-8+,14-10+/t13?,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience & Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of GST tagged Grb2 SH2 domain (unknown origin) binding to Shc-derived [3H]phosphopeptide


J Nat Prod 63: 1303-5 (2000)


BindingDB Entry DOI: 10.7270/Q21R6Q7M
More data for this
Ligand-Target Pair
RYamide receptor


(Drosophila melanogaster)
BDBM50192749
PNG
(CHEMBL3944838)
Show SMILES CC(C)CN1C[C@H](CCCCN)N=C(SCCC(N)=O)c2nn(CC(C)C)cc12 |r,t:12|
Show InChI InChI=1S/C21H38N6OS/c1-15(2)11-26-13-17(7-5-6-9-22)24-21(29-10-8-19(23)28)20-18(26)14-27(25-20)12-16(3)4/h14-17H,5-13,22H2,1-4H3,(H2,23,28)/t17-/m0/s1
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Article
PubMed
n/an/an/an/a 6.10E+3n/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at Drosophila melanogaster RYamide receptor expressed in wild type CHO-K1 cells assessed as increase in calcium level after 20 secs ...


Bioorg Med Chem Lett 26: 5116-5118 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.039
BindingDB Entry DOI: 10.7270/Q2DF6T58
More data for this
Ligand-Target Pair
RYamide receptor


(Drosophila melanogaster)
BDBM50192748
PNG
(CHEMBL3974271)
Show SMILES CC(C)CN1C[C@H](CCCCN)NC(=S)c2nn(CC(C)C)cc12 |r|
Show InChI InChI=1S/C18H33N5S/c1-13(2)9-22-11-15(7-5-6-8-19)20-18(24)17-16(22)12-23(21-17)10-14(3)4/h12-15H,5-11,19H2,1-4H3,(H,20,24)/t15-/m0/s1
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PubMed
n/an/an/an/a 6.80E+3n/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at Drosophila melanogaster RYamide receptor expressed in wild type CHO-K1 cells assessed as increase in calcium level after 20 secs ...


Bioorg Med Chem Lett 26: 5116-5118 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.039
BindingDB Entry DOI: 10.7270/Q2DF6T58
More data for this
Ligand-Target Pair
RYamide receptor


(Drosophila melanogaster)
BDBM50192742
PNG
(CHEMBL3982272)
Show SMILES CC(C)CN1C[C@@H](CCCCN)N=C(SCCC(=O)NN)c2nn(CC(C)C)cc12 |r,t:12|
Show InChI InChI=1S/C21H39N7OS/c1-15(2)11-27-13-17(7-5-6-9-22)24-21(30-10-8-19(29)25-23)20-18(27)14-28(26-20)12-16(3)4/h14-17H,5-13,22-23H2,1-4H3,(H,25,29)/t17-/m1/s1
UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a 2.09E+4n/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at Drosophila melanogaster RYamide receptor expressed in wild type CHO-K1 cells assessed as increase in calcium level after 20 secs ...


Bioorg Med Chem Lett 26: 5116-5118 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.039
BindingDB Entry DOI: 10.7270/Q2DF6T58
More data for this
Ligand-Target Pair
RYamide receptor


(Drosophila melanogaster)
BDBM50192747
PNG
(CHEMBL3935892)
Show SMILES Cc1noc(C)c1CN1CC(Cc2ccccc2)NC(=O)c2nn(CCC3CCN(CC3)C(=O)OC(C)(C)C)cc12
Show InChI InChI=1S/C31H42N6O4/c1-21-26(22(2)41-34-21)19-36-18-25(17-24-9-7-6-8-10-24)32-29(38)28-27(36)20-37(33-28)16-13-23-11-14-35(15-12-23)30(39)40-31(3,4)5/h6-10,20,23,25H,11-19H2,1-5H3,(H,32,38)
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Article
PubMed
n/an/an/an/a 5.90E+3n/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at Drosophila melanogaster RYamide receptor expressed in wild type CHO-K1 cells assessed as increase in calcium level after 20 secs ...


Bioorg Med Chem Lett 26: 5116-5118 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.039
BindingDB Entry DOI: 10.7270/Q2DF6T58
More data for this
Ligand-Target Pair