BDBM46555 GOSSYPOL ACETATE::MLS000028630::SMR000058743::acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-yl-2-naphthalenyl)-2,3,8-trihydroxy-6-methyl-4-propan-2-yl-1-naphthalenecarboxaldehyde::acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde::acetic acid;7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde::cid_227456::ethanoic acid;7-[8-methanoyl-3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalene-1-carbaldehyde::gossypol acetic acid

SMILES: CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O

InChI Key: InChIKey=QBKSWRVVCFFDOT-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 46555   

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
Transitional endoplasmic reticulum ATPase (Human)	BDBM46555 (SMR000058743 | acetic acid;7-(8-formyl-1,6,7-trihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Transitional endoplasmic reticulum ATPase (Human)	BDBM46555 (SMR000058743 | acetic acid;7-(8-formyl-1,6,7-trihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Estrogen receptor beta (Human)	BDBM46555 (SMR000058743 | acetic acid;7-(8-formyl-1,6,7-trihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Induced myeloid leukemia cell differentiation protein Mcl-1 (Human)	BDBM46555 (SMR000058743 | acetic acid;7-(8-formyl-1,6,7-trihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair