BDBM50128684 CHEMBL3628627

SMILES: CS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)N2CCOCC2)c1

InChI Key: InChIKey=POWKQVBMRCSBOT-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50128684   

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))	BDBM50128684 (CHEMBL3628627) Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)N2CCOCC2)c1 Show InChI InChI=1S/C30H26F2N6O5S3/c1-45(39,40)22-8-3-6-20(18-22)34-29-33-12-11-25(35-29)27-26(36-30(44-27)38-13-15-43-16-14-38)19-5-2-7-21(17-19)37-46(41,42)28-23(31)9-4-10-24(28)32/h2-12,17-18,37H,13-16H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...				Bioorg Med Chem 23: 7000-6 (2015) BindingDB Entry DOI: 10.7270/Q26D5VTM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM50128684 (CHEMBL3628627) Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)N2CCOCC2)c1 Show InChI InChI=1S/C30H26F2N6O5S3/c1-45(39,40)22-8-3-6-20(18-22)34-29-33-12-11-25(35-29)27-26(36-30(44-27)38-13-15-43-16-14-38)19-5-2-7-21(17-19)37-46(41,42)28-23(31)9-4-10-24(28)32/h2-12,17-18,37H,13-16H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay				Bioorg Med Chem 23: 7000-6 (2015) BindingDB Entry DOI: 10.7270/Q26D5VTM
					More data for this Ligand-Target Pair				3D Structure (crystal)