BDBM50456109 CHEMBL4212119

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

InChI Key: InChIKey=LDKFMROXBKEDTL-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 = 50456109   

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))	BDBM50456109 (CHEMBL4212119) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(F)cc2)n1 Show InChI InChI=1S/C20H24FN7S/c1-14-11-18(26-25-14)22-17-12-19(28-9-7-27(2)8-10-28)24-20(23-17)29-13-15-3-5-16(21)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(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	1	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))	BDBM50456109 (CHEMBL4212119) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(F)cc2)n1 Show InChI InChI=1S/C20H24FN7S/c1-14-11-18(26-25-14)22-17-12-19(28-9-7-27(2)8-10-28)24-20(23-17)29-13-15-3-5-16(21)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(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	25	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))	BDBM50456109 (CHEMBL4212119) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc(F)cc2)n1 Show InChI InChI=1S/C20H24FN7S/c1-14-11-18(26-25-14)22-17-12-19(28-9-7-27(2)8-10-28)24-20(23-17)29-13-15-3-5-16(21)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(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	23	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