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BDBM50192575 (R)-4-(2,4-dioxoimidazolidin-1-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide::CHEMBL213976

SMILES: Oc1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1

InChI Key: InChIKey=ZUCDUJUHDSRPGL-QFIPXVFZSA-N

Data: 2 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50192575   
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))
BDBM50192575
PNG
((R)-4-(2,4-dioxoimidazolidin-1-yl)-N-(2-oxo-5-phen...)
Show SMILES Oc1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |r,t:15|
Show InChI InChI=1S/C26H25F3N6O4/c27-26(28,29)15-35-19-9-5-4-8-18(19)21(16-6-2-1-3-7-16)31-22(23(35)37)32-24(38)33-12-10-17(11-13-33)34-14-20(36)30-25(34)39/h1-9,14,17,22,36H,10-13,15H2,(H,30,39)(H,32,38)/t22-/m0/s1
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PC sid
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Article
PubMed
29n/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))
BDBM50192575
PNG
((R)-4-(2,4-dioxoimidazolidin-1-yl)-N-(2-oxo-5-phen...)
Show SMILES Oc1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |r,t:15|
Show InChI InChI=1S/C26H25F3N6O4/c27-26(28,29)15-35-19-9-5-4-8-18(19)21(16-6-2-1-3-7-16)31-22(23(35)37)32-24(38)33-12-10-17(11-13-33)34-14-20(36)30-25(34)39/h1-9,14,17,22,36H,10-13,15H2,(H,30,39)(H,32,38)/t22-/m0/s1
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PubMed
520n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1


Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50192575
PNG
((R)-4-(2,4-dioxoimidazolidin-1-yl)-N-(2-oxo-5-phen...)
Show SMILES Oc1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |r,t:15|
Show InChI InChI=1S/C26H25F3N6O4/c27-26(28,29)15-35-19-9-5-4-8-18(19)21(16-6-2-1-3-7-16)31-22(23(35)37)32-24(38)33-12-10-17(11-13-33)34-14-20(36)30-25(34)39/h1-9,14,17,22,36H,10-13,15H2,(H,30,39)(H,32,38)/t22-/m0/s1
PDB
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Article
PubMed
n/an/a 100n/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