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BDBM50315406 (4'S)-3'-methyl-2-((2a-methyl-4-oxo-2a,3,4,5-tetrahydropyrrolo[4,3,2-de]quinolin-1(2H)-yl)methyl)-6,8-dihydrospiro[cyclopenta[g]quinoline-7,4'-imidazolidine]-2',5'-dione::CHEMBL1092838

SMILES: CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(CN4CC5(C)CC(=O)Nc6cccc4c56)nc3cc2C1

InChI Key: InChIKey=BPFRJWCFOHDGJV-GEVKEYJPSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50315406   
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))
BDBM50315406
PNG
((4'S)-3'-methyl-2-((2a-methyl-4-oxo-2a,3,4,5-tetra...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(CN4CC5(C)CC(=O)Nc6cccc4c56)nc3cc2C1 |r|
Show InChI InChI=1S/C27H25N5O3/c1-26-12-22(33)29-19-4-3-5-21(23(19)26)32(14-26)13-18-7-6-15-8-16-10-27(11-17(16)9-20(15)28-18)24(34)30-25(35)31(27)2/h3-9H,10-14H2,1-2H3,(H,29,33)(H,30,34,35)/t26?,27-/m0/s1
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UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.520n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315406
PNG
((4'S)-3'-methyl-2-((2a-methyl-4-oxo-2a,3,4,5-tetra...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(CN4CC5(C)CC(=O)Nc6cccc4c56)nc3cc2C1 |r|
Show InChI InChI=1S/C27H25N5O3/c1-26-12-22(33)29-19-4-3-5-21(23(19)26)32(14-26)13-18-7-6-15-8-16-10-27(11-17(16)9-20(15)28-18)24(34)30-25(35)31(27)2/h3-9H,10-14H2,1-2H3,(H,29,33)(H,30,34,35)/t26?,27-/m0/s1
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production in t...


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315406
PNG
((4'S)-3'-methyl-2-((2a-methyl-4-oxo-2a,3,4,5-tetra...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(CN4CC5(C)CC(=O)Nc6cccc4c56)nc3cc2C1 |r|
Show InChI InChI=1S/C27H25N5O3/c1-26-12-22(33)29-19-4-3-5-21(23(19)26)32(14-26)13-18-7-6-15-8-16-10-27(11-17(16)9-20(15)28-18)24(34)30-25(35)31(27)2/h3-9H,10-14H2,1-2H3,(H,29,33)(H,30,34,35)/t26?,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair