BDBM50277174 CHEMBL4164399

SMILES: [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@]1(C[C@@]1([H])O[C@]3(O)[C@@]([H])(O[C@H](C)C[C@@]33NC(=O)CS3)O[C@]1([H])C2)C=O

InChI Key: InChIKey=KLHRTBILXJZHSA-DJHKYUSNSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50277174   

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
Notch 1 intracellular domain (Notch 1) (Homo sapiens (Human))	BDBM50277174 (CHEMBL4164399) Show SMILES [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@]1(C[C@@]1([H])O[C@]3(O)[C@@]([H])(O[C@H](C)C[C@@]33NC(=O)CS3)O[C@]1([H])C2)C=O |r,t:19| Show InChI InChI=1S/C31H41NO9S/c1-16-11-30(32-24(34)14-42-30)31(37)26(39-16)40-22-10-18-3-4-21-20(28(18,15-33)12-23(22)41-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)38-13-17/h9,15-16,18-23,26,36-37H,3-8,10-14H2,1-2H3,(H,32,34)/t16-,18+,19-,20+,21-,22-,23-,26+,27-,28-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycy...				J Nat Prod 80: 2453-2461 (2017) Article DOI: 10.1021/acs.jnatprod.7b00282 BindingDB Entry DOI: 10.7270/Q2PC34XH
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