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BDBM84939 1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy-1-methylpropyl ester::LY 108742::LY-108742

SMILES: CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1

InChI Key: InChIKey=YLCYDARNSJPGCV-CPVBSHQASA-N

Data: 3 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 3 hits for monomerid = 84939   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM84939
PNG
(1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...)
Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
9.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(Monkey)
BDBM84939
PNG
(1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...)
Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
56.8n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM84939
PNG
(1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...)
Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
57.2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair