BDBM18964 4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol::L 3372::NSC85438::US9725430, Compound 1b::US9962362, Compound 1b

SMILES: CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1

InChI Key: InChIKey=ZHGKQUXXASLVQQ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 18964   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thyroid Hormone Receptor (TR-alpha) (Gallus gallus (chicken))	BDBM18964 (4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	7.6	22
University of Amsterdam					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Endocrinology 137: 2807-14 (1996) Article DOI: 10.1210/endo.137.7.8770901 BindingDB Entry DOI: 10.7270/Q2ZK5DX4
					More data for this Ligand-Target Pair
thyroid beta (RAT)	BDBM18964 (4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	7.6	22
University of Amsterdam					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				Endocrinology 137: 2807-14 (1996) Article DOI: 10.1210/endo.137.7.8770901 BindingDB Entry DOI: 10.7270/Q2ZK5DX4
					More data for this Ligand-Target Pair
Eyes absent homolog 3 (EYA3) (ED) (Homo sapiens (Human))	BDBM18964 (4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3	GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHILDREN HOSPITAL MEDICAL CENTER US Patent					Assay Description An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....				US Patent US9725430 (2017) BindingDB Entry DOI: 10.7270/Q23F4RSZ
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM18964 (4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	7.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The compounds were then tested using full-length human recombinant, purified EYA3 and pNPP as a substrate. Compounds were dissolved in DMSO and dilut...				Bioorg Med Chem Lett 16: 5488-92 (2006) BindingDB Entry DOI: 10.7270/Q2ZK5JZ7
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (PTP1B) (Homo sapiens (Human))	BDBM18964 (4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	7.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHILDREN HOSPITAL MEDICAL CENTER US Patent					Assay Description An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....				US Patent US9725430 (2017) BindingDB Entry DOI: 10.7270/Q23F4RSZ
					More data for this Ligand-Target Pair
EYA3(ED) (Mus musculus (Mouse))	BDBM18964 (4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3	GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The compounds were then tested using full-length human recombinant, purified EYA3 and pNPP as a substrate. Compounds were dissolved in DMSO and dilut...				Bioorg Med Chem Lett 16: 5488-92 (2006) BindingDB Entry DOI: 10.7270/Q2ZK5JZ7
					More data for this Ligand-Target Pair
Eyes absent homolog 3 (EYA3) (Homo sapiens (Human))	BDBM18964 (4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The compounds were then tested using full-length human recombinant, purified EYA3 and pNPP as a substrate. Compounds were dissolved in DMSO and dilut...				Bioorg Med Chem Lett 16: 5488-92 (2006) BindingDB Entry DOI: 10.7270/Q2ZK5JZ7
					More data for this Ligand-Target Pair
Eyes absent homolog 3 (EYA3) (Homo sapiens (Human))	BDBM18964 (4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHILDREN HOSPITAL MEDICAL CENTER US Patent					Assay Description An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....				US Patent US9725430 (2017) BindingDB Entry DOI: 10.7270/Q23F4RSZ
					More data for this Ligand-Target Pair