BDBM303431 US10138222, Example 159

SMILES: CC1OCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1

InChI Key: InChIKey=GKEAABZHANHJTB-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 = 303431   

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))	BDBM303431 (US10138222, Example 159) Show SMILES CC1OCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C29H36N6O2/c1-19-3-4-21(29(36)33-23-5-6-23)13-27(19)22-15-31-35(18-22)26-14-25(16-30-17-26)32-24-7-10-34(11-8-24)28-9-12-37-20(28)2/h3-4,13-18,20,23-24,28,32H,5-12H2,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	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