Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Breast cancer type 1 susceptibility protein' and Ligand = 'BDBM50345639'   

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))	BDBM50345639 ((S)-2-amino-3-((S)-2-((2S,3R)-1-((S)-1-amino-1-oxo...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)COP(O)(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C21H32N5O9P/c1-12(27)17(20(30)24-15(18(23)28)10-13-6-3-2-4-7-13)25-19(29)16-8-5-9-26(16)21(31)14(22)11-35-36(32,33)34/h2-4,6-7,12,14-17,27H,5,8-11,22H2,1H3,(H2,23,28)(H,24,30)(H,25,29)(H2,32,33,34)/t12-,14+,15+,16+,17+/m1/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	1.08E+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
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