Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Breast cancer type 1 susceptibility protein' and Ligand = 'BDBM50345634'   

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))	BDBM50345634 ((2S)-2-acetamido-3-((2S)-2-((2S,3R)-1-(1-amino-3-(...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)NC(Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C27H36N5O10P/c1-15(33)23(26(37)30-20(24(28)35)13-18-9-5-8-17-7-3-4-10-19(17)18)31-25(36)22-11-6-12-32(22)27(38)21(29-16(2)34)14-42-43(39,40)41/h3-5,7-10,15,20-23,33H,6,11-14H2,1-2H3,(H2,28,35)(H,29,34)(H,30,37)(H,31,36)(H2,39,40,41)/t15-,20?,21+,22+,23+/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	1.72E+5	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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