BDBM50330860 CHEMBL1201356::METHYLERGONOVINE::Methylergometrine

SMILES: CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C

InChI Key: InChIKey=UNBRKDKAWYKMIV-UHFFFAOYSA-N

Data: 10 KI  1 IC50

PDB links: 2 PDB IDs match 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 11 hits for monomerid = 50330860   

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
Multidrug and toxin extrusion protein 1 (Human)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 2B (Human)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		0.490	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)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 7 (Guinea pig)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		11.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 2C (Rat)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		12.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 2A (Rat)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1F (Human)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		30.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1F (Human)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 7 (Guinea pig)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		52.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1E (Human)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1E (Human)	BDBM50330860 (Methylergometrine | CHEMBL1201356 | METHYLERGONOVI...) Show SMILES Show InChI	GoogleScholar	UniChem		89.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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