Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Breast cancer type 1 susceptibility protein' and Ligand = 'BDBM50345628'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50345628 ((S)-2-acetamido-3-((S)-2-((S)-1-((S)-1-amino-1-oxo...) Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H32N5O9P/c1-13(20(30)26-16(19(23)29)11-15-7-4-3-5-8-15)24-21(31)18-9-6-10-27(18)22(32)17(25-14(2)28)12-36-37(33,34)35/h3-5,7-8,13,16-18H,6,9-12H2,1-2H3,(H2,23,29)(H,24,31)(H,25,28)(H,26,30)(H2,33,34,35)/t13-,16-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of BRCA1 by fluorescence polarization assay				J Med Chem 54: 4264-8 (2011) Article DOI: 10.1021/jm1016413 BindingDB Entry DOI: 10.7270/Q2RX9CD3
					More data for this Ligand-Target Pair