BDBM50007133 1-Aminomethyl-3-butyl-isochroman-5,6-diol::CHEMBL431220

SMILES: CCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1

InChI Key: InChIKey=MMVLDBWARAYRHY-NCWAPJAISA-N

Data: 2 KI  2 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 4 hits for monomerid = 50007133   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007133 (1-Aminomethyl-3-butyl-isochroman-5,6-diol | CHEMBL...) Show SMILES CCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C14H21NO3/c1-2-3-4-9-7-11-10(13(8-15)18-9)5-6-12(16)14(11)17/h5-6,9,13,16-17H,2-4,7-8,15H2,1H3/t9?,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	825	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50007133 (1-Aminomethyl-3-butyl-isochroman-5,6-diol | CHEMBL...) Show SMILES CCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C14H21NO3/c1-2-3-4-9-7-11-10(13(8-15)18-9)5-6-12(16)14(11)17/h5-6,9,13,16-17H,2-4,7-8,15H2,1H3/t9?,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007133 (1-Aminomethyl-3-butyl-isochroman-5,6-diol | CHEMBL...) Show SMILES CCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C14H21NO3/c1-2-3-4-9-7-11-10(13(8-15)18-9)5-6-12(16)14(11)17/h5-6,9,13,16-17H,2-4,7-8,15H2,1H3/t9?,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	359	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50007133 (1-Aminomethyl-3-butyl-isochroman-5,6-diol | CHEMBL...) Show SMILES CCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C14H21NO3/c1-2-3-4-9-7-11-10(13(8-15)18-9)5-6-12(16)14(11)17/h5-6,9,13,16-17H,2-4,7-8,15H2,1H3/t9?,13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair