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BDBM50301969 2a-(aminomethyl)-1-(((S)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl)methyl)-2a,3-dihydropyrrolo[4,3,2-de]quinoline-2,4(1H,5H)-dione::CHEMBL570933

SMILES: NCC12CC(=O)Nc3cccc(N(Cc4ccc5cc6C[C@@]7(Cc6cc5n4)C(=O)Nc4ncccc74)C1=O)c23

InChI Key: InChIKey=VXHXLQCJVAHSNL-UFXYQILXSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50301969   
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))
BDBM50301969
PNG
(2a-(aminomethyl)-1-(((S)-2'-oxo-1',2',6,8-tetrahyd...)
Show SMILES NCC12CC(=O)Nc3cccc(N(Cc4ccc5cc6C[C@@]7(Cc6cc5n4)C(=O)Nc4ncccc74)C1=O)c23
Show InChI InChI=1S/C30H24N6O3/c31-15-30-13-24(37)34-21-4-1-5-23(25(21)30)36(28(30)39)14-19-7-6-16-9-17-11-29(12-18(17)10-22(16)33-19)20-3-2-8-32-26(20)35-27(29)38/h1-10H,11-15,31H2,(H,34,37)(H,32,35,38)/t29-,30?/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.130n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301969
PNG
(2a-(aminomethyl)-1-(((S)-2'-oxo-1',2',6,8-tetrahyd...)
Show SMILES NCC12CC(=O)Nc3cccc(N(Cc4ccc5cc6C[C@@]7(Cc6cc5n4)C(=O)Nc4ncccc74)C1=O)c23
Show InChI InChI=1S/C30H24N6O3/c31-15-30-13-24(37)34-21-4-1-5-23(25(21)30)36(28(30)39)14-19-7-6-16-9-17-11-29(12-18(17)10-22(16)33-19)20-3-2-8-32-26(20)35-27(29)38/h1-10H,11-15,31H2,(H,34,37)(H,32,35,38)/t29-,30?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.620n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-induced cAMP production


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair