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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-B receptor' and Ligand = 'BDBM50289799'   
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))
BDBM50289799
PNG
(CHEMBL293240 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cnc[nH]1
Show InChI InChI=1S/C21H27N5O3/c1-14(2)7-8-23-20(27)19(26-21(28)29-12-16-11-22-13-25-16)9-15-10-24-18-6-4-3-5-17(15)18/h3-6,10-11,13-14,19,24H,7-9,12H2,1-2H3,(H,22,25)(H,23,27)(H,26,28)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
3.90E+3n/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-B receptor


(Homo sapiens (Human))
BDBM50289799
PNG
(CHEMBL293240 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cnc[nH]1
Show InChI InChI=1S/C21H27N5O3/c1-14(2)7-8-23-20(27)19(26-21(28)29-12-16-11-22-13-25-16)9-15-10-24-18-6-4-3-5-17(15)18/h3-6,10-11,13-14,19,24H,7-9,12H2,1-2H3,(H,22,25)(H,23,27)(H,26,28)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
3.90E+3n/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