BDBM85123 Thr1 inhibitor, 3::cid_235240

SMILES: OC1C(=O)C(Oc2cc(O)c(O)cc12)c1ccc(O)c(O)c1

InChI Key: InChIKey=CLQWDMJDPASRGD-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 85123   

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
Homoserine kinase (Escherichia coli)	BDBM85123 (Thr1 inhibitor, 3 | cid_235240) Show SMILES OC1C(=O)C(Oc2cc(O)c(O)cc12)c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H12O7/c16-8-2-1-6(3-9(8)17)15-14(21)13(20)7-4-10(18)11(19)5-12(7)22-15/h1-5,13,15-20H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.71E+4	-6.48	n/a	n/a	n/a	n/a	n/a	7.5	37
McMaster University					Assay Description The phosphorylation of L-Hse was monitored by coupling the formation of ADP with pyruvate kinase and lactate dehydrogenase (PK/LDH). The resulting o...				Chembiochem 12: 1179-82 (2011) Article DOI: 10.1002/cbic.201100121 BindingDB Entry DOI: 10.7270/Q24T6GWV
					More data for this Ligand-Target Pair
lens epithelium-derived growth factor p75 (Homo sapiens (Human))	BDBM85123 (Thr1 inhibitor, 3 | cid_235240) Show SMILES OC1C(=O)C(Oc2cc(O)c(O)cc12)c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H12O7/c16-8-2-1-6(3-9(8)17)15-14(21)13(20)7-4-10(18)11(19)5-12(7)22-15/h1-5,13,15-20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2KD1WKS
					More data for this Ligand-Target Pair
lens epithelium-derived growth factor p75 (Homo sapiens (Human))	BDBM85123 (Thr1 inhibitor, 3 | cid_235240) Show SMILES OC1C(=O)C(Oc2cc(O)c(O)cc12)c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H12O7/c16-8-2-1-6(3-9(8)17)15-14(21)13(20)7-4-10(18)11(19)5-12(7)22-15/h1-5,13,15-20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2Q52N9H
					More data for this Ligand-Target Pair