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BDBM85240 5-MeOT-N-pentanyl

SMILES: CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1

InChI Key: InChIKey=BKACYKQVCNZPBM-UHFFFAOYSA-N

Data: 8 KI

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 8 hits for monomerid = 85240   
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
Melatonin receptor


(Homo sapiens (Human))
BDBM85240
PNG
(5-MeOT-N-pentanyl)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
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5.88n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85240
PNG
(5-MeOT-N-pentanyl)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
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5.90n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85240
PNG
(5-MeOT-N-pentanyl)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
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8.10n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85240
PNG
(5-MeOT-N-pentanyl)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
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8.12n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM85240
PNG
(5-MeOT-N-pentanyl)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
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24.5n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)

More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM85240
PNG
(5-MeOT-N-pentanyl)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
24.5n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85240
PNG
(5-MeOT-N-pentanyl)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
57.4n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85240
PNG
(5-MeOT-N-pentanyl)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
57.5n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
More data for this
Ligand-Target Pair