BDBM50330595 (+)-(3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-methylpiperidine-4-carboxylic Acid::(+/-)-(3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-methylpiperidine-4-carboxylic Acid::CHEMBL1277755

SMILES: COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)C1)C(O)=O

InChI Key: InChIKey=PKQMCKYXYCALMZ-WCQYABFASA-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 = 50330595   

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 Nek2 (Homo sapiens (Human))	BDBM50330595 ((+)-(3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)p...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)C1)C(O)=O |r| Show InChI InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of NEK2 by microfluidic assay				J Med Chem 53: 7682-98 (2010) Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50330595 ((+)-(3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)p...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)C1)C(O)=O |r| Show InChI InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of NEK2 by microfluidic assay				J Med Chem 53: 7682-98 (2010) Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79
					More data for this Ligand-Target Pair