BDBM52947 (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;ethanol;hydrate;hydrochloride::(2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;ethanol;hydrate;hydrochloride::(2Z,4S,4aR,5S,5aR,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;ethanol;hydrate;hydrochloride::Doxycycline::Doxycycline hyclate::MLS001056533::SMR000326704::cid_16746590

SMILES: C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12

InChI Key: InChIKey=VXVNYCRICCVPTD-UHFFFAOYSA-N

Data: 1 KI  4 IC50  2 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 7 hits for monomerid = 52947   

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
Zinc finger protein mex-5 (Caenorhabditis elegans)	BDBM52947 (cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.79E+4	n/a	n/a	n/a	n/a
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POsterior Segregation (Caenorhabditis elegans)	BDBM52947 (cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a
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Cysteine protease ATG4B (Human)	BDBM52947 (cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Phospholipase A2 (Human)	BDBM52947 (cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-2-microglobulin (Human)	BDBM52947 (cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	7.4	37
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Protein-arginine deiminase type-4 (Human)	BDBM52947 (cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Human)	BDBM52947 (cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...) Show SMILES Show InChI	GoogleScholar	UniChem		6.30E+5	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