BDBM50380358 CHEMBL2017821

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=PQDJSMDUNMWELB-KRCBVYEFSA-N

Data: 1 KI

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 1 hit for monomerid = 50380358   

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
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380358 (CHEMBL2017821) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C35H41N4O10P/c1-22(2)30(33(42)36-27(35(44)45)19-23-11-5-3-6-12-23)38-32(41)29-17-10-18-39(29)34(43)28(21-49-50(46,47)48)37-31(40)26-16-9-15-25(20-26)24-13-7-4-8-14-24/h3-9,11-16,20,22,27-30H,10,17-19,21H2,1-2H3,(H,36,42)(H,37,40)(H,38,41)(H,44,45)(H2,46,47,48)/t27-,28-,29-,30-/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	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair