BDBM50244720 CHEMBL4064701

SMILES: CN1c2ccccc2OC[C@H](N2CCc3c(C)n(Cc4ccccc4)nc3C2=O)C1=O

InChI Key: InChIKey=MDDHOJGACPRKMS-FQEVSTJZSA-N

Data: 1 KI

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 = 50244720   

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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244720 (CHEMBL4064701) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(C)n(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C24H24N4O3/c1-16-18-12-13-27(20-15-31-21-11-7-6-10-19(21)26(2)23(20)29)24(30)22(18)25-28(16)14-17-8-4-3-5-9-17/h3-11,20H,12-15H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair