BDBM84938 (6aR)-7-Methyl-4-isobutyl-4,6,6a¿¿¿¿,7,8,9,10,10a¿¿¿¿-octahydroindolo[4,3-fg]quinoline-9¿¿¿¿-carboxylic acid 2-hydroxy-1-methylpropyl ester 6-Methyl-1-(2-methylpropyl)ergoline-8¿¿¿¿-carboxylic acid 2-hydroxy-1-methylpropyl ester::(6aR)-7-Methyl-4-isobutyl-4,6,6aα,7,8,9,10,10aβ-octahydroindolo[4,3-fg]quinoline-9α-carboxylic acid 2-hydroxy-1-methylpropyl ester 6-Methyl-1-(2-methylpropyl)ergoline-8β-carboxylic acid 2-hydroxy-1-methylpropyl ester ::LY 197541::LY-197541

SMILES: CC(C)Cn1cc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)c3cccc1c23

InChI Key: InChIKey=NRMCOBVLHDZQFD-XCXPZOIVSA-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 = 84938   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-HT2 (PIG)	BDBM84938 ((6aR)-7-Methyl-4-isobutyl-4,6,6a¿¿¿¿,7,8,9,10,10a¿...) Show SMILES CC(C)Cn1cc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)c3cccc1c23 Show InChI InChI=1S/C24H34N2O3/c1-14(2)11-26-13-17-10-22-20(19-7-6-8-21(26)23(17)19)9-18(12-25(22)5)24(28)29-16(4)15(3)27/h6-8,13-16,18,20,22,27H,9-12H2,1-5H3/t15?,16?,18-,20-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM84938 ((6aR)-7-Methyl-4-isobutyl-4,6,6a¿¿¿¿,7,8,9,10,10a¿...) Show SMILES CC(C)Cn1cc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)c3cccc1c23 Show InChI InChI=1S/C24H34N2O3/c1-14(2)11-26-13-17-10-22-20(19-7-6-8-21(26)23(17)19)9-18(12-25(22)5)24(28)29-16(4)15(3)27/h6-8,13-16,18,20,22,27H,9-12H2,1-5H3/t15?,16?,18-,20-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM84938 ((6aR)-7-Methyl-4-isobutyl-4,6,6a¿¿¿¿,7,8,9,10,10a¿...) Show SMILES CC(C)Cn1cc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)c3cccc1c23 Show InChI InChI=1S/C24H34N2O3/c1-14(2)11-26-13-17-10-22-20(19-7-6-8-21(26)23(17)19)9-18(12-25(22)5)24(28)29-16(4)15(3)27/h6-8,13-16,18,20,22,27H,9-12H2,1-5H3/t15?,16?,18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	242	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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