BDBM50339591 (+)-xylariamide A::(S)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-4-oxobut-2-enamido)propanoic acid::3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine::CHEMBL463134

SMILES: COC(=O)\C=C\C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O

InChI Key: InChIKey=KCOKHEIACSQLBQ-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50339591   

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
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50339591 ((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...) Show SMILES Show InChI	GoogleScholar	UniChem		710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase (Yeast)	BDBM50339591 ((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...) Show SMILES Show InChI	GoogleScholar	UniChem		1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50339591 ((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...) Show SMILES Show InChI	GoogleScholar	UniChem		1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Human)	BDBM50339591 ((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...) Show SMILES Show InChI	GoogleScholar	UniChem		8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50339591 ((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...) Show SMILES Show InChI	GoogleScholar	UniChem		1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Human)	BDBM50339591 ((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...) Show SMILES Show InChI	GoogleScholar	UniChem		2.31E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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