BDBM475894 US10864201, Ex. 11.7

SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)C(=O)C1(CC1)C#N

InChI Key: InChIKey=UIEXPOXVQUEESL-INIZCTEOSA-N

Data: 1 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 1 hit for monomerid = 475894   

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
Pantetheinase (Homo sapiens (Human))	BDBM475894 (US10864201, Ex. 11.7) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)C(=O)C1(CC1)C#N |r| Show InChI InChI=1S/C21H27N5O2/c1-20(2)6-4-14-10-15(11-23-17(14)24-20)18(27)26-9-5-16(12-26)25(3)19(28)21(13-22)7-8-21/h10-11,16H,4-9,12H2,1-3H3,(H,23,24)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020)
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