BDBM50456110 CHEMBL4216563

SMILES: CN1CCN(CC1)c1cc(Nc2cc([nH]n2)-c2cccc(F)c2)nc(Sc2ccccc2)n1

InChI Key: InChIKey=NIYBCVRMZHPXIV-UHFFFAOYSA-N

Data: 1 IC50  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 3 hits for monomerid = 50456110   

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 A (Homo sapiens (Human))	BDBM50456110 (CHEMBL4216563) Show SMILES CN1CCN(CC1)c1cc(Nc2cc([nH]n2)-c2cccc(F)c2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C24H24FN7S/c1-31-10-12-32(13-11-31)23-16-21(27-24(28-23)33-19-8-3-2-4-9-19)26-22-15-20(29-30-22)17-6-5-7-18(25)14-17/h2-9,14-16H,10-13H2,1H3,(H2,26,27,28,29,30)	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	5.01E+3	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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50456110 (CHEMBL4216563) Show SMILES CN1CCN(CC1)c1cc(Nc2cc([nH]n2)-c2cccc(F)c2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C24H24FN7S/c1-31-10-12-32(13-11-31)23-16-21(27-24(28-23)33-19-8-3-2-4-9-19)26-22-15-20(29-30-22)17-6-5-7-18(25)14-17/h2-9,14-16H,10-13H2,1H3,(H2,26,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.5	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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50456110 (CHEMBL4216563) Show SMILES CN1CCN(CC1)c1cc(Nc2cc([nH]n2)-c2cccc(F)c2)nc(Sc2ccccc2)n1 Show InChI InChI=1S/C24H24FN7S/c1-31-10-12-32(13-11-31)23-16-21(27-24(28-23)33-19-8-3-2-4-9-19)26-22-15-20(29-30-22)17-6-5-7-18(25)14-17/h2-9,14-16H,10-13H2,1H3,(H2,26,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Antagonist activity at C-terminal PK-fused human full length TrkA assessed as inhibition of betaNGF-induced protein binding to Shc1-EA by beta-galact...				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