BDBM303849 US10138241, Example 35

SMILES: COc1cc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2cc1S(=O)(=O)C(C)(C)C

InChI Key: InChIKey=QYTPVPZFNIIUQN-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 = 303849   

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))	BDBM303849 (US10138241, Example 35) Show SMILES COc1cc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C26H29N5O4S/c1-16-6-7-17(25(32)29-19-8-9-19)10-20(16)18-12-28-31(14-18)24-13-27-23-11-21(35-5)22(15-30(23)24)36(33,34)26(2,3)4/h6-7,10-15,19H,8-9H2,1-5H3,(H,29,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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 US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair