BDBM50436721 CHEMBL2401964

SMILES: CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1

InChI Key: InChIKey=PMMISILPBLQWSZ-GFCCVEGCSA-N

Data: 3 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 3 hits for monomerid = 50436721   

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 PLK3 (Homo sapiens (Human))	BDBM50436721 (CHEMBL2401964) Show SMILES CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r| Show InChI InChI=1S/C18H21N7OS/c1-5-12-18(26)24(4)13-9-20-15(22-16(13)25(12)10(2)3)11-8-21-23-14(11)17-19-6-7-27-17/h6-10,12H,5H2,1-4H3,(H,21,23)/t12-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk3 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 15 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436721 (CHEMBL2401964) Show SMILES CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r| Show InChI InChI=1S/C18H21N7OS/c1-5-12-18(26)24(4)13-9-20-15(22-16(13)25(12)10(2)3)11-8-21-23-14(11)17-19-6-7-27-17/h6-10,12H,5H2,1-4H3,(H,21,23)/t12-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50436721 (CHEMBL2401964) Show SMILES CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r| Show InChI InChI=1S/C18H21N7OS/c1-5-12-18(26)24(4)13-9-20-15(22-16(13)25(12)10(2)3)11-8-21-23-14(11)17-19-6-7-27-17/h6-10,12H,5H2,1-4H3,(H,21,23)/t12-/m1/s1	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	770	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair