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BDBM50315405 1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl)methyl)-1,2,2a,3-tetrahydropyrrolo[4,3,2-de]quinolin-4(5H)-one::CHEMBL1092837

SMILES: O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4CC5CC(=O)Nc6cccc4c56)nc3cc2C1

InChI Key: InChIKey=QPMNQIHFIPFQSE-CFLNXXHPSA-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 = 50315405   
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))
BDBM50315405
PNG
(1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4CC5CC(=O)Nc6cccc4c56)nc3cc2C1
Show InChI InChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-10,19H,11-15H2,(H,32,35)(H,30,33,36)/t19?,29-/m1/s1
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.550n/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))
BDBM50315405
PNG
(1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4CC5CC(=O)Nc6cccc4c56)nc3cc2C1
Show InChI InChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-10,19H,11-15H2,(H,32,35)(H,30,33,36)/t19?,29-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10n/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))
BDBM50315405
PNG
(1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4CC5CC(=O)Nc6cccc4c56)nc3cc2C1
Show InChI InChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-10,19H,11-15H2,(H,32,35)(H,30,33,36)/t19?,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.860n/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