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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 432.5
BDBM50289807

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289807
PNG
(CHEMBL57601 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indo...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H28N4O3/c1-16(2)32-25(31)29-23(13-18-15-28-22-10-6-4-8-20(18)22)24(30)26-12-11-17-14-27-21-9-5-3-7-19(17)21/h3-10,14-16,23,27-28H,11-13H2,1-2H3,(H,26,30)(H,29,31)/t23-/m0/s1
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Article
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50289807
PNG
(CHEMBL57601 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indo...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H28N4O3/c1-16(2)32-25(31)29-23(13-18-15-28-22-10-6-4-8-20(18)22)24(30)26-12-11-17-14-27-21-9-5-3-7-19(17)21/h3-10,14-16,23,27-28H,11-13H2,1-2H3,(H,26,30)(H,29,31)/t23-/m0/s1
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 9.42E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair