BDBM50022756 CHEMBL3298164

SMILES: CCOc1cccc(c1)-c1nccc2n(CCOc3ccc(Cl)cc3)c(cc12)C(O)=O

InChI Key: InChIKey=QBTLZXDENPTYFB-UHFFFAOYSA-N

Data: 2 IC50  1 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 = 50022756   

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))	BDBM50022756 (CHEMBL3298164) Show SMILES CCOc1cccc(c1)-c1nccc2n(CCOc3ccc(Cl)cc3)c(cc12)C(O)=O Show InChI InChI=1S/C24H21ClN2O4/c1-2-30-19-5-3-4-16(14-19)23-20-15-22(24(28)29)27(21(20)10-11-26-23)12-13-31-18-8-6-17(25)7-9-18/h3-11,14-15H,2,12-13H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to His-tagged TrkA (unknown origin) after 1 hr by SPR method				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022756 (CHEMBL3298164) Show SMILES CCOc1cccc(c1)-c1nccc2n(CCOc3ccc(Cl)cc3)c(cc12)C(O)=O Show InChI InChI=1S/C24H21ClN2O4/c1-2-30-19-5-3-4-16(14-19)23-20-15-22(24(28)29)27(21(20)10-11-26-23)12-13-31-18-8-6-17(25)7-9-18/h3-11,14-15H,2,12-13H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022756 (CHEMBL3298164) Show SMILES CCOc1cccc(c1)-c1nccc2n(CCOc3ccc(Cl)cc3)c(cc12)C(O)=O Show InChI InChI=1S/C24H21ClN2O4/c1-2-30-19-5-3-4-16(14-19)23-20-15-22(24(28)29)27(21(20)10-11-26-23)12-13-31-18-8-6-17(25)7-9-18/h3-11,14-15H,2,12-13H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	653	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phsophorylated TrkA (unknown origin) assessed as inhibition of fluorescently-labelled substrate phosphorylation by CALIPER enzymatic as...				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair