BDBM44170 2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-(1H-pyrrol-2-yl)ethyl]-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-(methylamino)-1,3-benzoxazole-4-carboxylic acid::5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxidanylidene-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid::5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid::Calcimycin A23187::MLS001056783::SMR000326983::cid_11957499

SMILES: CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(O)=O

InChI Key: InChIKey=HIYAVKIYRIFSCZ-UHFFFAOYSA-N

Data: 4 IC50  4 EC50

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 8 hits for monomerid = 44170   

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
Solute carrier family 12 member 5 (Human)	BDBM44170 (MLS001056783 | 5-(methylamino)-2-[[(2S,3R,5R,6S,8R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a
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Solute carrier family 12 member 5 (Human)	BDBM44170 (MLS001056783 | 5-(methylamino)-2-[[(2S,3R,5R,6S,8R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Human)	BDBM44170 (MLS001056783 | 5-(methylamino)-2-[[(2S,3R,5R,6S,8R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	9.96E+3	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Human)	BDBM44170 (MLS001056783 | 5-(methylamino)-2-[[(2S,3R,5R,6S,8R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a
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Apelin receptor (Human)	BDBM44170 (MLS001056783 | 5-(methylamino)-2-[[(2S,3R,5R,6S,8R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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DNA damage-inducible transcript 3 protein (Mouse)	BDBM44170 (MLS001056783 | 5-(methylamino)-2-[[(2S,3R,5R,6S,8R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
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X-box-binding protein 1 (Human)	BDBM44170 (MLS001056783 | 5-(methylamino)-2-[[(2S,3R,5R,6S,8R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mouse)	BDBM44170 (MLS001056783 | 5-(methylamino)-2-[[(2S,3R,5R,6S,8R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair