BDBM50470919 CHEMBL332964

SMILES: CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1I

InChI Key: InChIKey=RYXNEHUZFJQFDO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50470919   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50470919 (CHEMBL332964) Show SMILES CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1I Show InChI InChI=1S/C18H19IN2O3/c1-10(22)21-15-3-2-11(6-14(15)19)7-16-13-9-18(24)17(23)8-12(13)4-5-20-16/h2-3,6,8-9,16,20,23-24H,4-5,7H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...				J Med Chem 39: 3701-11 (1996) Article DOI: 10.1021/jm960208o BindingDB Entry DOI: 10.7270/Q2Q52SBM
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50470919 (CHEMBL332964) Show SMILES CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1I Show InChI InChI=1S/C18H19IN2O3/c1-10(22)21-15-3-2-11(6-14(15)19)7-16-13-9-18(24)17(23)8-12(13)4-5-20-16/h2-3,6,8-9,16,20,23-24H,4-5,7H2,1H3,(H,21,22)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity for human Platelet Thromboxane A2 / Prostaglandin (TP), by radioligand competition binding assays using [3H]-SQ 29548 as radioligand				J Med Chem 39: 3701-11 (1996) Article DOI: 10.1021/jm960208o BindingDB Entry DOI: 10.7270/Q2Q52SBM
					More data for this Ligand-Target Pair