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BDBM50071751 (S)-3-(1H-Indol-3-yl)-2-[3-(4-isopropyl-phenyl)-ureido]-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide::CHEMBL88010

SMILES: CC(C)c1ccc(NC(=O)N[C@@](C)(Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccccn2)cc1

InChI Key: InChIKey=WUKCFSLNDDXVRY-XIFFEERXSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50071751   
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
NMBR


(Homo sapiens (Human))
BDBM50071751
PNG
((S)-3-(1H-Indol-3-yl)-2-[3-(4-isopropyl-phenyl)-ur...)
Show SMILES CC(C)c1ccc(NC(=O)N[C@@](C)(Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccccn2)cc1
Show InChI InChI=1S/C34H41N5O2/c1-24(2)25-14-16-27(17-15-25)38-32(41)39-33(3,21-26-22-36-29-12-6-5-11-28(26)29)31(40)37-23-34(18-8-4-9-19-34)30-13-7-10-20-35-30/h5-7,10-17,20,22,24,36H,4,8-9,18-19,21,23H2,1-3H3,(H,37,40)(H2,38,39,41)/t33-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.40n/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
GRPR


(Homo sapiens (Human))
BDBM50071751
PNG
((S)-3-(1H-Indol-3-yl)-2-[3-(4-isopropyl-phenyl)-ur...)
Show SMILES CC(C)c1ccc(NC(=O)N[C@@](C)(Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccccn2)cc1
Show InChI InChI=1S/C34H41N5O2/c1-24(2)25-14-16-27(17-15-25)38-32(41)39-33(3,21-26-22-36-29-12-6-5-11-28(26)29)31(40)37-23-34(18-8-4-9-19-34)30-13-7-10-20-35-30/h5-7,10-17,20,22,24,36H,4,8-9,18-19,21,23H2,1-3H3,(H,37,40)(H2,38,39,41)/t33-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
273n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin.


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


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