BDBM50387513 CHEMBL2059880

SMILES O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

InChI Key InChIKey=CCCSWRIKNOQGJG-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50387513   

TargetCalcitonin gene-related peptide type 1 receptor(Human)
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50387513(CHEMBL2059880)
Affinity DataKi:  0.550nMAssay Description:Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50387513(CHEMBL2059880)
Affinity DataIC50: 9nMAssay Description:Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50387513(CHEMBL2059880)
Affinity DataIC50: 84nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in baculo-virus infected insect microsomes using benzyloxyresorufin as substrate after 45 mins by fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50387513(CHEMBL2059880)
Affinity DataIC50: 870nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in baculo-virus infected insect microsomes using 7-benzyloxy-4-trifluoromethylcoumarin as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed