BindingDB logo
myBDB logout

3 similar compounds to monomer 50131540

Compile data set for download or QSAR
Wt: 186.1
BDBM50259953
Purchase
Wt: 579.6
BDBM50165598
Wt: 632.7
BDBM50165603

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50259953,50165598,50165603   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ghrelin receptor


(Homo sapiens (Human))
BDBM50165598
PNG
(CHEMBL3797857)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2ccccc2)NC=O)cc1
Show InChI InChI=1S/C33H37N7O3/c1-33(2,34)32(42)37-29(18-24-19-35-27-12-8-7-11-26(24)27)31-39-38-30(28(36-21-41)17-22-9-5-4-6-10-22)40(31)20-23-13-15-25(43-3)16-14-23/h4-16,19,21,28-29,35H,17-18,20,34H2,1-3H3,(H,36,41)(H,37,42)/t28-,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
59n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50165603
PNG
(CHEMBL3800176)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C36H40N8O3/c1-22(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-43-34(44(33)21-23-13-15-26(47-4)16-14-23)32(41-35(46)36(2,3)37)18-25-20-39-30-12-8-6-10-28(25)30/h5-16,19-20,31-32,38-39H,17-18,21,37H2,1-4H3,(H,40,45)(H,41,46)/t31-,32+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50165603
PNG
(CHEMBL3800176)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C36H40N8O3/c1-22(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-43-34(44(33)21-23-13-15-26(47-4)16-14-23)32(41-35(46)36(2,3)37)18-25-20-39-30-12-8-6-10-28(25)30/h5-16,19-20,31-32,38-39H,17-18,21,37H2,1-4H3,(H,40,45)(H,41,46)/t31-,32+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in mouse LTK cells after 6 hrs by CRE/luciferase reporter gene assay in presence of ghrelin and roli...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50165603
PNG
(CHEMBL3800176)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C36H40N8O3/c1-22(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-43-34(44(33)21-23-13-15-26(47-4)16-14-23)32(41-35(46)36(2,3)37)18-25-20-39-30-12-8-6-10-28(25)30/h5-16,19-20,31-32,38-39H,17-18,21,37H2,1-4H3,(H,40,45)(H,41,46)/t31-,32+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in CHO cells assessed as inhibition of ghrelin-induced intracellular calcium mobilization measured o...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50165598
PNG
(CHEMBL3797857)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2ccccc2)NC=O)cc1
Show InChI InChI=1S/C33H37N7O3/c1-33(2,34)32(42)37-29(18-24-19-35-27-12-8-7-11-26(24)27)31-39-38-30(28(36-21-41)17-22-9-5-4-6-10-22)40(31)20-23-13-15-25(43-3)16-14-23/h4-16,19,21,28-29,35H,17-18,20,34H2,1-3H3,(H,36,41)(H,37,42)/t28-,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 113n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in mouse LTK cells after 6 hrs by CRE/luciferase reporter gene assay in presence of ghrelin and roli...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50259953
PNG
(CHEMBL499847 | bakuchicin)
Show SMILES O=c1ccc2c3occc3ccc2o1
Show InChI InChI=1S/C11H6O3/c12-10-4-2-8-9(14-10)3-1-7-5-6-13-11(7)8/h1-6H
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.04E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 2 in human HeLa cells by kinetoplast DNA decantation assay


J Nat Prod 61: 362-6 (1998)


Article DOI: 10.1021/np970488q
BindingDB Entry DOI: 10.7270/Q2JW8DN2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50165598
PNG
(CHEMBL3797857)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2ccccc2)NC=O)cc1
Show InChI InChI=1S/C33H37N7O3/c1-33(2,34)32(42)37-29(18-24-19-35-27-12-8-7-11-26(24)27)31-39-38-30(28(36-21-41)17-22-9-5-4-6-10-22)40(31)20-23-13-15-25(43-3)16-14-23/h4-16,19,21,28-29,35H,17-18,20,34H2,1-3H3,(H,36,41)(H,37,42)/t28-,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in CHO cells assessed as inhibition of ghrelin-induced intracellular calcium mobilization measured o...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair