BDBM50021195 2-Hydroxy-ethanesulfonic acid (1,3,4,5,6,11b-hexahydro-2H-11-oxa-4a-aza-benzo[a]fluoren-2-yl)-methyl-amide::CHEMBL48603

SMILES: CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO

InChI Key: InChIKey=KPPZSBMFUSDGBU-CJNGLKHVSA-N

Data: 3 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 3 hits for monomerid = 50021195   

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 Alpha2 (BOVINE)	BDBM50021195 (2-Hydroxy-ethanesulfonic acid (1,3,4,5,6,11b-hexah...) Show SMILES CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO Show InChI InChI=1S/C18H24N2O4S/c1-19(25(22,23)11-10-21)13-6-8-20-9-7-15-14-4-2-3-5-17(14)24-18(15)16(20)12-13/h2-5,13,16,21H,6-12H2,1H3/t13-,16+/m1/s1	PDB KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for its ability to displace [3H]-clonidine from alpha-2 adrenergic receptor of calf cerebral cortex				J Med Chem 28: 1756-9 (1986) BindingDB Entry DOI: 10.7270/Q2JW8CWS
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50021195 (2-Hydroxy-ethanesulfonic acid (1,3,4,5,6,11b-hexah...) Show SMILES CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO Show InChI InChI=1S/C18H24N2O4S/c1-19(25(22,23)11-10-21)13-6-8-20-9-7-15-14-4-2-3-5-17(14)24-18(15)16(20)12-13/h2-5,13,16,21H,6-12H2,1H3/t13-,16+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of human plasma renin				J Med Chem 28: 1756-9 (1986) BindingDB Entry DOI: 10.7270/Q2JW8CWS
					More data for this Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50021195 (2-Hydroxy-ethanesulfonic acid (1,3,4,5,6,11b-hexah...) Show SMILES CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO Show InChI InChI=1S/C18H24N2O4S/c1-19(25(22,23)11-10-21)13-6-8-20-9-7-15-14-4-2-3-5-17(14)24-18(15)16(20)12-13/h2-5,13,16,21H,6-12H2,1H3/t13-,16+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for its ability to displace [3H]-prazosin from alpha1-Adrenoreceptor of calf cerebral cortex				J Med Chem 28: 1756-9 (1986) BindingDB Entry DOI: 10.7270/Q2JW8CWS
					More data for this Ligand-Target Pair