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BDBM50288250 2-[3-(2,6-Diisopropyl-phenyl)-ureido]-N-((R)-2,2-dimethyl-4-phenyl-[1,3]dioxan-5-yl)-3-(1H-indol-3-yl)-2-methyl-propionamide::CHEMBL406037

SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1COC(C)(C)OC1c1ccccc1

InChI Key: InChIKey=PJFOFCXGUIDZLW-MGXPEAIDSA-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 = 50288250   
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))
BDBM50288250
PNG
(2-[3-(2,6-Diisopropyl-phenyl)-ureido]-N-((R)-2,2-d...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1COC(C)(C)OC1c1ccccc1
Show InChI InChI=1S/C37H46N4O4/c1-23(2)27-17-13-18-28(24(3)4)32(27)40-35(43)41-37(7,20-26-21-38-30-19-12-11-16-29(26)30)34(42)39-31-22-44-36(5,6)45-33(31)25-14-9-8-10-15-25/h8-19,21,23-24,31,33,38H,20,22H2,1-7H3,(H,39,42)(H2,40,41,43)/t31-,33?,37?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
420n/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
GRPR


(Homo sapiens (Human))
BDBM50288250
PNG
(2-[3-(2,6-Diisopropyl-phenyl)-ureido]-N-((R)-2,2-d...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1COC(C)(C)OC1c1ccccc1
Show InChI InChI=1S/C37H46N4O4/c1-23(2)27-17-13-18-28(24(3)4)32(27)40-35(43)41-37(7,20-26-21-38-30-19-12-11-16-29(26)30)34(42)39-31-22-44-36(5,6)45-33(31)25-14-9-8-10-15-25/h8-19,21,23-24,31,33,38H,20,22H2,1-7H3,(H,39,42)(H2,40,41,43)/t31-,33?,37?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human GRP(gastrin releasing peptide) receptors 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