BDBM50074695 CHEMBL3410160

SMILES: CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2conc2C)C1=O)c1ccccc1

InChI Key: InChIKey=XHVDMEMANOFVOM-MEKIYTOJSA-N

Data: 2 IC50

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 2 hits for monomerid = 50074695   

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))	BDBM50074695 (CHEMBL3410160) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2conc2C)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C27H26F3N5O4/c1-15-19(14-39-34-15)21(23(31)36)18(12-13-27(28,29)30)25(37)33-24-26(38)35(2)20-11-7-6-10-17(20)22(32-24)16-8-4-3-5-9-16/h3-11,14,18,21,24H,12-13H2,1-2H3,(H2,31,36)(H,33,37)/t18-,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Notch 3 intracellular domain (Notch 3) (Homo sapiens (Human))	BDBM50074695 (CHEMBL3410160) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2conc2C)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C27H26F3N5O4/c1-15-19(14-39-34-15)21(23(31)36)18(12-13-27(28,29)30)25(37)33-24-26(38)35(2)20-11-7-6-10-17(20)22(32-24)16-8-4-3-5-9-16/h3-11,14,18,21,24H,12-13H2,1-2H3,(H2,31,36)(H,33,37)/t18-,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair