BDBM50502951 CHEMBL4466950

SMILES: CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)ccc3OC)cc2)nc2ccccc12

InChI Key: InChIKey=XIIZBFHETJMVPU-UHFFFAOYSA-N

Data: 3 IC50

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 = 50502951   

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
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50502951 (CHEMBL4466950) Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)ccc3OC)cc2)nc2ccccc12 Show InChI InChI=1S/C26H28N4O3/c1-4-30-23-8-6-5-7-21(23)28-25(30)16-11-18-9-12-19(13-10-18)27-26(31)29-22-17-20(32-2)14-15-24(22)33-3/h5-10,12-15,17H,4,11,16H2,1-3H3,(H2,27,29,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zoetis Inc Curated by ChEMBL					Assay Description Inhibition of human full length TRKB expressed in CHO cells assessed as decrease in NGF-induced Ca2+ flux by Calcium 4 dye-based FLIPR TETRA assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126680
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50502951 (CHEMBL4466950) Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)ccc3OC)cc2)nc2ccccc12 Show InChI InChI=1S/C26H28N4O3/c1-4-30-23-8-6-5-7-21(23)28-25(30)16-11-18-9-12-19(13-10-18)27-26(31)29-22-17-20(32-2)14-15-24(22)33-3/h5-10,12-15,17H,4,11,16H2,1-3H3,(H2,27,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Zoetis Inc Curated by ChEMBL					Assay Description Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126680
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50502951 (CHEMBL4466950) Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)ccc3OC)cc2)nc2ccccc12 Show InChI InChI=1S/C26H28N4O3/c1-4-30-23-8-6-5-7-21(23)28-25(30)16-11-18-9-12-19(13-10-18)27-26(31)29-22-17-20(32-2)14-15-24(22)33-3/h5-10,12-15,17H,4,11,16H2,1-3H3,(H2,27,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	658	n/a	n/a	n/a	n/a	n/a	n/a
Zoetis Inc Curated by ChEMBL					Assay Description Inhibition of human full length TRKA expressed in CHO cells assessed as decrease in NGF-induced Ca2+ flux by Calcium 4 dye-based FLIPR TETRA assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126680
					More data for this Ligand-Target Pair