BDBM18753 4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8,10-pentaen-2-one::GA9

SMILES: c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl

InChI Key: InChIKey=GFGZCXHXQCQRFP-UHFFFAOYSA-N

Data: 5 KI

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 18753   

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
Thymidylate synthase (Lactobacillus casei)	BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) Show SMILES Show InChI	GoogleScholar	UniChem		800	-8.17	n/a	n/a	n/a	n/a	n/a	7.4	20
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Thymidylate synthase (Cryptococcus neoformans)	BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) Show SMILES Show InChI	GoogleScholar	UniChem		4.10E+3	-7.22	n/a	n/a	n/a	n/a	n/a	7.4	20
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Thymidylate synthase (Escherichia coli (strain K12))	BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) Show SMILES Show InChI	GoogleScholar	UniChem		4.10E+3	-7.22	n/a	n/a	n/a	n/a	n/a	7.4	20
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Thymidylate synthase (Pneumocystis carinii)	BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) Show SMILES Show InChI	GoogleScholar	UniChem		2.80E+4	-6.10	n/a	n/a	n/a	n/a	n/a	7.4	20
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Thymidylate synthase (Human)	BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) Show SMILES Show InChI	GoogleScholar	UniChem		>2.45E+5	>-4.84	n/a	n/a	n/a	n/a	n/a	7.4	20
TBA									Citation and Details
					More data for this Ligand-Target Pair