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BDBM50254446 (R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-5'-yl)-2-(8-methyl-2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5,4-de]quinoxalin-1-yl)acetamide::(S)-2-(6-methyl-2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5,4-de]quinoxalin-1-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl)acetamide::CHEMBL466192

SMILES: CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1

InChI Key: InChIKey=UIJJWQFJVGLSOH-XMMPIXPASA-N

Data: 2 KI  4 IC50

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 6 hits for monomerid = 50254446   
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))
BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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Article
PubMed
0.230n/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))
BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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0.510n/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))
BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...


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))
BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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Article
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n/an/a 0.880n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production


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))
BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production


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))
BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...


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