BDBM50439428 CHEMBL2420564

SMILES: OC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1

InChI Key: InChIKey=KLRKVNKANBJQPN-SFHLNBCPSA-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 = 50439428   

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
Microtubule-associated serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM50439428 (CHEMBL2420564) Show SMILES OC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1 |r,wU:13.12,2.2,wD:16.16,(22.2,-27.64,;20.87,-26.87,;20.87,-25.33,;19.54,-24.56,;18.2,-25.33,;18.2,-26.87,;16.87,-24.56,;15.54,-25.33,;14.2,-24.56,;14.2,-23.02,;12.87,-22.25,;12.87,-20.71,;11.54,-19.94,;10.2,-20.71,;10.2,-22.25,;8.87,-23.02,;7.53,-22.25,;6.2,-23.02,;7.53,-20.71,;8.87,-19.94,;14.2,-19.94,;14.52,-18.43,;16.05,-18.27,;16.68,-19.68,;15.54,-20.71,;15.54,-22.25,;16.87,-23.02,;22.2,-24.56,;22.2,-23.02,;23.54,-22.25,;24.87,-23.02,;24.87,-24.56,;23.54,-25.33,)| Show InChI InChI=1S/C25H27N5O3/c31-15-21(16-4-2-1-3-5-16)29-25(33)17-6-11-20-22(14-17)30-13-12-26-24(30)23(28-20)27-18-7-9-19(32)10-8-18/h1-6,11-14,18-19,21,31-32H,7-10,15H2,(H,27,28)(H,29,33)/t18-,19-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
ActivX Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of MAST3 in human HuH7 cell lysates				Bioorg Med Chem Lett 23: 5217-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.087 BindingDB Entry DOI: 10.7270/Q24T6KSR
					More data for this Ligand-Target Pair