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BDBM50192573 4-(2-oxo-4-phenylimidazolidin-1-yl)-N-((R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide::CHEMBL214904

SMILES: FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CC(NC2=O)c2ccccc2)C1=O)c1ccccc1

InChI Key: InChIKey=UUIQYQXDPFNCKH-NMXAJACMSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50192573   
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
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50192573
PNG
(4-(2-oxo-4-phenylimidazolidin-1-yl)-N-((R)-2-oxo-5...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CC(NC2=O)c2ccccc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C32H31F3N6O3/c33-32(34,35)20-41-26-14-8-7-13-24(26)27(22-11-5-2-6-12-22)37-28(29(41)42)38-30(43)39-17-15-23(16-18-39)40-19-25(36-31(40)44)21-9-3-1-4-10-21/h1-14,23,25,28H,15-20H2,(H,36,44)(H,38,43)/t25?,28-/m0/s1
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Article
PubMed
339n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 16: 5052-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50192573
PNG
(4-(2-oxo-4-phenylimidazolidin-1-yl)-N-((R)-2-oxo-5...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CC(NC2=O)c2ccccc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C32H31F3N6O3/c33-32(34,35)20-41-26-14-8-7-13-24(26)27(22-11-5-2-6-12-22)37-28(29(41)42)38-30(43)39-17-15-23(16-18-39)40-19-25(36-31(40)44)21-9-3-1-4-10-21/h1-14,23,25,28H,15-20H2,(H,36,44)(H,38,43)/t25?,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production


Bioorg Med Chem Lett 16: 5052-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX
More data for this
Ligand-Target Pair