BDBM50441626 GLABRIDIN::US9783551, Compound 1

SMILES: CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O

InChI Key: InChIKey=LBQIJVLKGVZRIW-ZDUSSCGKSA-N

Data: 1 KI  4 IC50

PDB links: 2 PDB IDs match 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 = 50441626   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50441626 (GLABRIDIN | US9783551, Compound 1) Show SMILES CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Mechanism based inhibition of human cytochrome P450 CYP3A4 measured by 7BFC O-debenzylation				Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50441626 (GLABRIDIN | US9783551, Compound 1) Show SMILES CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate preincubated for 5 mins followed by substrate addition				J Nat Prod 80: 334-346 (2017) Article DOI: 10.1021/acs.jnatprod.6b00783 BindingDB Entry DOI: 10.7270/Q2XD146V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50441626 (GLABRIDIN | US9783551, Compound 1) Show SMILES CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaceum Inc. US Patent					Assay Description The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...				US Patent US9783551 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KWV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50441626 (GLABRIDIN | US9783551, Compound 1) Show SMILES CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate				Bioorg Med Chem Lett 23: 5836-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.102 BindingDB Entry DOI: 10.7270/Q28W3FQ0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50441626 (GLABRIDIN | US9783551, Compound 1) Show SMILES CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaceum Inc. US Patent					Assay Description The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...				US Patent US9783551 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KWV
					More data for this Ligand-Target Pair