BDBM50372608 CHEMBL429736::GSK-221149A

SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4

InChI Key: InChIKey=PLVGDGRBPMVYPB-UHFFFAOYSA-N

Data: 5 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50372608   

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)	BDBM50372608 (GSK-221149A | CHEMBL429736) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Oxytocin receptor (Human)	BDBM50372608 (GSK-221149A | CHEMBL429736) Show SMILES Show InChI	GoogleScholar	UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Oxytocin receptor (Human)	BDBM50372608 (GSK-221149A | CHEMBL429736) Show SMILES Show InChI	GoogleScholar	UniChem		4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Vasopressin V2 receptor (Human)	BDBM50372608 (GSK-221149A | CHEMBL429736) Show SMILES Show InChI	GoogleScholar	UniChem		950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Vasopressin V1b receptor (Human)	BDBM50372608 (GSK-221149A | CHEMBL429736) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Vasopressin V1a receptor (Human)	BDBM50372608 (GSK-221149A | CHEMBL429736) Show SMILES Show InChI	GoogleScholar	UniChem		>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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