BDBM30708 (6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleate::(6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleic acid::(6aR,9R)-4,7-dimethyl-N-[(2S)-1-oxidanylbutan-2-yl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid::(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-2-butenedioic acid::(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid::METHYSERGIDE MALEATE::MLS000069364::SMR000058483::cid_5281073

SMILES: CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C

InChI Key: InChIKey=KPJZHOPZRAFDTN-UHFFFAOYSA-N

Data: 3 KI  4 IC50  8 EC50

PDB links: 1 PDB ID matches this monomer.

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 15 hits for monomerid = 30708   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Human)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.71E+4	n/a	n/a	7.4	23
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5-hydroxytryptamine receptor 1A (Human)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.08E+3	n/a	n/a	7.4	23
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5-hydroxytryptamine receptor 1E (Human)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	37.5	n/a	n/a	7.4	23
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14-3-3 protein gamma (Human)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Sphingosine 1-phosphate receptor 3 (Human)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
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Glycoprotein 42 (HHV-4)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Zinc finger protein mex-5 (Caenorhabditis elegans)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
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Zinc finger protein mex-5 (Caenorhabditis elegans)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a
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POsterior Segregation (Caenorhabditis elegans)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a
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POsterior Segregation (Caenorhabditis elegans)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a
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Induced myeloid leukemia cell differentiation protein Mcl-1 (Human)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Bcl-2-like protein 1 (Human)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 2C (Human)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 2B (Human)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1A (Human)	BDBM30708 (METHYSERGIDE MALEATE | SMR000058483 | (6aR,9R)-N-[...) Show SMILES Show InChI	GoogleScholar	UniChem		17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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