BDBM50232762 CHEMBL4089434

SMILES: C[n+]1c(\C=C\c2ccccc2Cl)sc2ccccc12

InChI Key: InChIKey=LGXUCPIPLWTLIG-ZHACJKMWSA-N

Data: 2 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 2 hits for monomerid = 50232762   

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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232762 (CHEMBL4089434) Show SMILES C[n+]1c(\C=C\c2ccccc2Cl)sc2ccccc12 Show InChI InChI=1S/C16H13ClNS/c1-18-14-8-4-5-9-15(14)19-16(18)11-10-12-6-2-3-7-13(12)17/h2-11H,1H3/q+1/b11-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232762 (CHEMBL4089434) Show SMILES C[n+]1c(\C=C\c2ccccc2Cl)sc2ccccc12 Show InChI InChI=1S/C16H13ClNS/c1-18-14-8-4-5-9-15(14)19-16(18)11-10-12-6-2-3-7-13(12)17/h2-11H,1H3/q+1/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair