BDBM427106 (S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4-dimethylpentan-2-amine::US10544120, Example 74

SMILES: CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1cccc2ncccc12

InChI Key: InChIKey=RQRGSHXEWVXFGK-VWLOTQADSA-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 = 427106   

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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM427106 ((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...) Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1cccc2ncccc12 |r| Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-12-11-19(14-22(24)18-9-10-18)20-6-4-8-23-21(20)7-5-13-27-23/h4-8,11-14,17-18H,9-10,15-16,26H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10544120 (2020) BindingDB Entry DOI: 10.7270/Q2RF5XCX
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