BDBM50022755 CHEMBL3298162

SMILES: OC(=O)c1cc2c(nccc2n1Cc1noc(n1)-c1ccccc1)-c1cccc2ccccc12

InChI Key: InChIKey=BUVASZPZZZNEAY-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50022755   

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))	BDBM50022755 (CHEMBL3298162) Show SMILES OC(=O)c1cc2c(nccc2n1Cc1noc(n1)-c1ccccc1)-c1cccc2ccccc12 Show InChI InChI=1S/C27H18N4O3/c32-27(33)23-15-21-22(31(23)16-24-29-26(34-30-24)18-8-2-1-3-9-18)13-14-28-25(21)20-12-6-10-17-7-4-5-11-19(17)20/h1-15H,16H2,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of non-phosphorylated TrkA (unknown origin) assessed as inhibition of fluorescently-labelled substrate phosphorylation by CALIPER enzymati...				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				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022755 (CHEMBL3298162) Show SMILES OC(=O)c1cc2c(nccc2n1Cc1noc(n1)-c1ccccc1)-c1cccc2ccccc12 Show InChI InChI=1S/C27H18N4O3/c32-27(33)23-15-21-22(31(23)16-24-29-26(34-30-24)18-8-2-1-3-9-18)13-14-28-25(21)20-12-6-10-17-7-4-5-11-19(17)20/h1-15H,16H2,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	7.90	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				3D Structure (crystal)