BDBM50465481 CHEMBL4291472

SMILES: O=C(Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1)c1ccccc1

InChI Key: InChIKey=GDAXNTSQAYYYRQ-UHFFFAOYSA-N

Data: 3 KI

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 = 50465481   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50465481 (CHEMBL4291472) Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1)c1ccccc1 Show InChI InChI=1S/C19H17N5O2/c25-17(12-4-2-1-3-5-12)23-16-10-13(11-21-18(16)26)15-8-9-20-19(24-15)22-14-6-7-14/h1-5,8-11,14H,6-7H2,(H,21,26)(H,23,25)(H,20,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...				Bioorg Med Chem 26: 3021-3029 (2018) Article DOI: 10.1016/j.bmc.2018.04.033 BindingDB Entry DOI: 10.7270/Q2736TKN
					More data for this Ligand-Target Pair
Aurora B/Incenp (Homo sapiens (Human))	BDBM50465481 (CHEMBL4291472) Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1)c1ccccc1 Show InChI InChI=1S/C19H17N5O2/c25-17(12-4-2-1-3-5-12)23-16-10-13(11-21-18(16)26)15-8-9-20-19(24-15)22-14-6-7-14/h1-5,8-11,14H,6-7H2,(H,21,26)(H,23,25)(H,20,22,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...				Bioorg Med Chem 26: 3021-3029 (2018) Article DOI: 10.1016/j.bmc.2018.04.033 BindingDB Entry DOI: 10.7270/Q2736TKN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50465481 (CHEMBL4291472) Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1)c1ccccc1 Show InChI InChI=1S/C19H17N5O2/c25-17(12-4-2-1-3-5-12)23-16-10-13(11-21-18(16)26)15-8-9-20-19(24-15)22-14-6-7-14/h1-5,8-11,14H,6-7H2,(H,21,26)(H,23,25)(H,20,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged Aurora A (unknown origin) using fluorescence-labeled FL-Peptide 21 as substrate after 60 mins in pres...				Bioorg Med Chem 26: 3021-3029 (2018) Article DOI: 10.1016/j.bmc.2018.04.033 BindingDB Entry DOI: 10.7270/Q2736TKN
					More data for this Ligand-Target Pair