BDBM50041914 1-Aminomethyl-isochroman-6,7-diol::CHEMBL105383

SMILES: NCC1OCCc2cc(O)c(O)cc12

InChI Key: InChIKey=ICQJOAAZGCOTMT-UHFFFAOYSA-N

Data: 4 KI  2 IC50

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 6 hits for monomerid = 50041914   

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 alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50041914 (1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383) Show SMILES NCC1OCCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.28E+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 Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand				J Med Chem 36: 3077-86 (1993) BindingDB Entry DOI: 10.7270/Q2PG1SB1
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50041914 (1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383) Show SMILES NCC1OCCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.45E+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 Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand				J Med Chem 36: 3077-86 (1993) BindingDB Entry DOI: 10.7270/Q2PG1SB1
					More data for this Ligand-Target Pair
ADRB2 (BOVINE)	BDBM50041914 (1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383) Show SMILES NCC1OCCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand				J Med Chem 36: 3077-86 (1993) BindingDB Entry DOI: 10.7270/Q2PG1SB1
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50041914 (1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383) Show SMILES NCC1OCCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Tested for binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]-Prazosin as radioligand				J Med Chem 36: 3077-86 (1993) BindingDB Entry DOI: 10.7270/Q2PG1SB1
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50041914 (1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383) Show SMILES NCC1OCCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory activity against beta-2 adrenergic receptor in guinea pig tracheal strip is determined				J Med Chem 36: 3077-86 (1993) BindingDB Entry DOI: 10.7270/Q2PG1SB1
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50041914 (1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383) Show SMILES NCC1OCCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is determined				J Med Chem 36: 3077-86 (1993) BindingDB Entry DOI: 10.7270/Q2PG1SB1
					More data for this Ligand-Target Pair