BDBM50409481 CHEMBL35738

SMILES: C[C@H](NCCc1ccc(NCC(O)=O)c(I)c1)[C@H](O)c1ccc(O)cc1

InChI Key: InChIKey=YBSJGZFCWUMGSR-BUXKBTBVSA-N

Data: 1 IC50  1 EC50

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 = 50409481   

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
Adrenergic receptor beta (Rattus norvegicus)	BDBM50409481 (CHEMBL35738) Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)c(I)c1)[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C19H23IN2O4/c1-12(19(26)14-3-5-15(23)6-4-14)21-9-8-13-2-7-17(16(20)10-13)22-11-18(24)25/h2-7,10,12,19,21-23,26H,8-9,11H2,1H3,(H,24,25)/t12-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	813	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...				J Med Chem 44: 1436-45 (2001) BindingDB Entry DOI: 10.7270/Q2Q52QVH
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50409481 (CHEMBL35738) Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)c(I)c1)[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C19H23IN2O4/c1-12(19(26)14-3-5-15(23)6-4-14)21-9-8-13-2-7-17(16(20)10-13)22-11-18(24)25/h2-7,10,12,19,21-23,26H,8-9,11H2,1H3,(H,24,25)/t12-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction				J Med Chem 44: 1436-45 (2001) BindingDB Entry DOI: 10.7270/Q2Q52QVH
					More data for this Ligand-Target Pair