Compounds in cluster

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3 similar compounds to monomer 50199453

Wt: 376.3
BDBM50199451

Wt: 257.2
BDBM50199475

Wt: 247.2
BDBM50199476

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50199451,50199475,50199476
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199475 (CHEMBL3939786) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199476 (CHEMBL590801) Show SMILES Oc1cc(\C=C\c2ccccc2)nc2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM50199451 (CHEMBL3945365) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science& Technology Normal University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition by mobility shif...				Bioorg Med Chem Lett 26: 5450-5454 (2016) Article DOI: 10.1016/j.bmcl.2016.10.029 BindingDB Entry DOI: 10.7270/Q2JD4ZRP
					More data for this Ligand-Target Pair
RAF serine/threonine protein kinase (Homo sapiens (Human))	BDBM50199451 (CHEMBL3945365) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science& Technology Normal University Curated by ChEMBL					Assay Description Inhibition of BRAF (unknown origin) using FAM-labeled peptide as substrate after 1 hr by Lanthascreen assay				Bioorg Med Chem Lett 26: 5450-5454 (2016) Article DOI: 10.1016/j.bmcl.2016.10.029 BindingDB Entry DOI: 10.7270/Q2JD4ZRP
					More data for this Ligand-Target Pair