BDBM50078156 CHEMBL3417696

SMILES: OCCCc1c([nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=VNPQQNNCMGXCNB-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50078156   

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
Serum albumin (Homo sapiens (Human))	BDBM50078156 (CHEMBL3417696) Show SMILES OCCCc1c([nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C12H13NO3/c14-7-3-5-9-8-4-1-2-6-10(8)13-11(9)12(15)16/h1-2,4,6,13-14H,3,5,7H2,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Displacement of probe S1 from recombinant human serum albumin domain 3 after 5 mins by fluorescence polarization assay				J Med Chem 58: 2180-94 (2015) Article DOI: 10.1021/jm501258m BindingDB Entry DOI: 10.7270/Q2HX1FC8
					More data for this Ligand-Target Pair