BDBM50208914 CHEMBL3884884

SMILES: C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccccc1

InChI Key: InChIKey=LNCUDNJUDSTTIM-AWEZNQCLSA-N

Data: 2 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 2 hits for monomerid = 50208914   

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
MAP/microtubule affinity-regulating kinase 4 (Homo sapiens (Human))	BDBM50208914 (CHEMBL3884884) Show SMILES C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccccc1 |r| Show InChI InChI=1S/C21H21N5O/c1-14(15-8-5-4-6-9-15)26-18-17(21(2,3)19(26)27)13-23-20(25-18)24-16-10-7-11-22-12-16/h4-14H,1-3H3,(H,23,24,25)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human MARK4 expressed in HEK293T cells coexpressing tau protein assessed as reduction in tau phosphorylation at Ser262 residues by Alph...				Bioorg Med Chem Lett 27: 114-120 (2017) Article DOI: 10.1016/j.bmcl.2016.08.068 BindingDB Entry DOI: 10.7270/Q2N018JC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase c-TAK1 (Homo sapiens (Human))	BDBM50208914 (CHEMBL3884884) Show SMILES C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccccc1 |r| Show InChI InChI=1S/C21H21N5O/c1-14(15-8-5-4-6-9-15)26-18-17(21(2,3)19(26)27)13-23-20(25-18)24-16-10-7-11-22-12-16/h4-14H,1-3H3,(H,23,24,25)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay				Bioorg Med Chem Lett 27: 114-120 (2017) Article DOI: 10.1016/j.bmcl.2016.08.068 BindingDB Entry DOI: 10.7270/Q2N018JC
					More data for this Ligand-Target Pair