BDBM50466802 CHEMBL4277690

SMILES: Clc1cccc(NC(=O)NC2NC=C(CCNc3ncnc4sccc34)S2)c1

InChI Key: InChIKey=XQNMCONHYXAHKS-UHFFFAOYSA-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 = 50466802   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50466802 (CHEMBL4277690) Show SMILES Clc1cccc(NC(=O)NC2NC=C(CCNc3ncnc4sccc34)S2)c1 |t:12| Show InChI InChI=1S/C18H17ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-15-14-5-7-27-16(14)23-10-22-15/h1-3,5,7-10,18,21H,4,6H2,(H,20,22,23)(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of recombinant aurora B (unknown origin)				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50466802 (CHEMBL4277690) Show SMILES Clc1cccc(NC(=O)NC2NC=C(CCNc3ncnc4sccc34)S2)c1 |t:12| Show InChI InChI=1S/C18H17ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-15-14-5-7-27-16(14)23-10-22-15/h1-3,5,7-10,18,21H,4,6H2,(H,20,22,23)(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase (unknown origin)				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C (Homo sapiens (Human))	BDBM50466802 (CHEMBL4277690) Show SMILES Clc1cccc(NC(=O)NC2NC=C(CCNc3ncnc4sccc34)S2)c1 |t:12| Show InChI InChI=1S/C18H17ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-15-14-5-7-27-16(14)23-10-22-15/h1-3,5,7-10,18,21H,4,6H2,(H,20,22,23)(H2,24,25,26)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of Aurora C kinase (unknown origin)				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
					More data for this Ligand-Target Pair