BDBM50456107 CHEMBL4204878

SMILES: CN1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CCCC2)nc(Sc2ccccc2)n1

InChI Key: InChIKey=NZCGPZGBVIWOIY-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 = 50456107   

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))	BDBM50456107 (CHEMBL4204878) Show SMILES CN1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CCCC2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C23H29N7S/c1-29-11-13-30(14-12-29)22-16-20(25-23(26-22)31-18-9-3-2-4-10-18)24-21-15-19(27-28-21)17-7-5-6-8-17/h2-4,9-10,15-17H,5-8,11-14H2,1H3,(H2,24,25,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60	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))	BDBM50456107 (CHEMBL4204878) Show SMILES CN1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CCCC2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C23H29N7S/c1-29-11-13-30(14-12-29)22-16-20(25-23(26-22)31-18-9-3-2-4-10-18)24-21-15-19(27-28-21)17-7-5-6-8-17/h2-4,9-10,15-17H,5-8,11-14H2,1H3,(H2,24,25,26,27,28)	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	n/a	100	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