BDBM50330574 1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1277019

SMILES: CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O

InChI Key: InChIKey=SXVAXEOOBRDRSC-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50330574   

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))	BDBM50330574 (1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)pi...) Show SMILES CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	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))	BDBM50330574 (1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)pi...) Show SMILES CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of NEK2 autophosphorylation after 2 hrs by DELFIA 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 PLK1 (Homo sapiens (Human))	BDBM50330574 (1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)pi...) Show SMILES CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	25
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 after 75 mins at room temperature by caliper method				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))	BDBM50330574 (1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)pi...) Show SMILES CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation				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 Nek1 (Homo sapiens (Human))	BDBM50330574 (1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)pi...) Show SMILES CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	25
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of NEK1 after 1 hr at room temperature by caliper method				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 Chk1 (Homo sapiens (Human))	BDBM50330574 (1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)pi...) Show SMILES CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1				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