BDBM50456111 CHEMBL4217093

SMILES: CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(C)cc2)n1

InChI Key: InChIKey=JJSRRCSUDKCPDQ-UHFFFAOYSA-N

Data: 2 Kd

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 = 50456111   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50456111 (CHEMBL4217093) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(C)cc2)n1 Show InChI InChI=1S/C21H27N7S/c1-15-4-6-17(7-5-15)14-29-21-23-18(22-19-12-16(2)25-26-19)13-20(24-21)28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,22,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged human partial length TrkA expressed in mammalian expression system by qPCR method				J Med Chem 61: 4851-4859 (2018) Article DOI: 10.1021/acs.jmedchem.8b00140 BindingDB Entry DOI: 10.7270/Q25H7JVT
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50456111 (CHEMBL4217093) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(C)cc2)n1 Show InChI InChI=1S/C21H27N7S/c1-15-4-6-17(7-5-15)14-29-21-23-18(22-19-12-16(2)25-26-19)13-20(24-21)28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged human partial length AURKA expressed in mammalian expression system by qPCR method				J Med Chem 61: 4851-4859 (2018) Article DOI: 10.1021/acs.jmedchem.8b00140 BindingDB Entry DOI: 10.7270/Q25H7JVT
					More data for this Ligand-Target Pair