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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'NMBR' and Ligand = 'BDBM50071754'   
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
NMBR


(Homo sapiens (Human))
BDBM50071754
PNG
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
KEGG

UniProtKB/SwissProt

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PC sid
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Article
6.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human NMB receptor stably expressed in CHO cells


Bioorg Med Chem Lett 6: 2617-2622 (1996)


Article DOI: 10.1016/0960-894X(96)00481-7
BindingDB Entry DOI: 10.7270/Q2NC61QD
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071754
PNG
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
6.30n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071754
PNG
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair