BDBM50000504 6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,2,5-triol::CHEMBL6913

SMILES: CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O

InChI Key: InChIKey=VYPNBBZHLGJXPR-ZYHUDNBSSA-N

Data: 4 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 4 hits for monomerid = 50000504   

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
ADRB2 (BOVINE)	BDBM50000504 (6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,...) Show SMILES CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Compound was evaluated for beta adrenergic binding affinity towards Beta-2 adrenergic receptor of bovine lung				J Med Chem 35: 1009-18 (1992) BindingDB Entry DOI: 10.7270/Q2J38T5T
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50000504 (6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,...) Show SMILES CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain				J Med Chem 35: 1009-18 (1992) BindingDB Entry DOI: 10.7270/Q2J38T5T
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50000504 (6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,...) Show SMILES CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity towards alpha-2 adrenergic receptor of rat brain				J Med Chem 35: 1009-18 (1992) BindingDB Entry DOI: 10.7270/Q2J38T5T
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50000504 (6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,...) Show SMILES CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1 adrenergic receptor of rat brain				J Med Chem 35: 1009-18 (1992) BindingDB Entry DOI: 10.7270/Q2J38T5T
					More data for this Ligand-Target Pair