BDBM303362 US10138222, Example 77

SMILES: CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C

InChI Key: InChIKey=ZLKVIHDFELEJAL-UHFFFAOYSA-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 = 303362   

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
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM303362 (US10138222, Example 77) Show SMILES CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C Show InChI InChI=1S/C25H29FN6O/c1-16-9-24(26)23(25(33)30-18-3-4-18)11-22(16)17-12-28-32(15-17)21-10-20(13-27-14-21)29-19-5-7-31(2)8-6-19/h9-15,18-19,29H,3-8H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair