BDBM50295557 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((2R,5S,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide::7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (5-benzyl-10b-hydroxy-2-methyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide::CHEMBL1732::DIHYDROERGOTAMINE::Dihydroer-gotamin

SMILES: C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C

InChI Key: InChIKey=LUZRJRNZXALNLM-UHFFFAOYSA-N

Data: 6 KI  8 IC50

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 14 hits for monomerid = 50295557   

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
Cytochrome P450 3A4 (Human)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Gastrin/cholecystokinin type B receptor (Mouse)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cholecystokinin receptor type A (Mouse)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (Rat)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rat)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
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Multidrug and toxin extrusion protein 2 (Human)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Multidrug and toxin extrusion protein 1 (Human)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier family 22 member 2 (Human)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 2B (Human)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1ab (2019-nCoV)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		1.07E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-dependent translocase ABCB1 (Human)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-dependent translocase ABCB1 (Mouse)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Mouse)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50295557 (CHEMBL1732 | 7-Methyl-4,6,6a,7,8,9-hexahydro-indol...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair