BDBM85122 Thr1 inhibitor, 1

SMILES: C=CC(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=FOTCGZPFSUWZBN-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 85122   

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)	BDBM85122 (Thr1 inhibitor, 1) Show SMILES C=CC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	3.20E+4	-6.37	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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM85122 (Thr1 inhibitor, 1) Show SMILES C=CC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibition of Janus kinase 3.				Bioorg Med Chem Lett 10: 575-9 (2000) BindingDB Entry DOI: 10.7270/Q24T6KNZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM85122 (Thr1 inhibitor, 1) Show SMILES C=CC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Janus kinase 1				Bioorg Med Chem Lett 10: 575-9 (2000) BindingDB Entry DOI: 10.7270/Q24T6KNZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM85122 (Thr1 inhibitor, 1) Show SMILES C=CC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor				Bioorg Med Chem Lett 10: 575-9 (2000) BindingDB Entry DOI: 10.7270/Q24T6KNZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM85122 (Thr1 inhibitor, 1) Show SMILES C=CC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 4				Bioorg Med Chem Lett 10: 575-9 (2000) BindingDB Entry DOI: 10.7270/Q24T6KNZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM85122 (Thr1 inhibitor, 1) Show SMILES C=CC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase				Bioorg Med Chem Lett 10: 575-9 (2000) BindingDB Entry DOI: 10.7270/Q24T6KNZ
					More data for this Ligand-Target Pair