BDBM50007127 1-Aminomethyl-3-cyclooctyl-isochroman-5,6-diol::CHEMBL85689

SMILES: NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCCCC1

InChI Key: InChIKey=NYSMWUFTIPGKQH-DJNXLDHESA-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 = 50007127   

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(1A) dopamine receptor (RAT)	BDBM50007127 (1-Aminomethyl-3-cyclooctyl-isochroman-5,6-diol | C...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCCCC1 Show InChI InChI=1S/C18H27NO3/c19-11-17-13-8-9-15(20)18(21)14(13)10-16(22-17)12-6-4-2-1-3-5-7-12/h8-9,12,16-17,20-21H,1-7,10-11,19H2/t16?,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	89	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))	BDBM50007127 (1-Aminomethyl-3-cyclooctyl-isochroman-5,6-diol | C...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCCCC1 Show InChI InChI=1S/C18H27NO3/c19-11-17-13-8-9-15(20)18(21)14(13)10-16(22-17)12-6-4-2-1-3-5-7-12/h8-9,12,16-17,20-21H,1-7,10-11,19H2/t16?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	342	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 (Homo sapiens (Human))	BDBM50007127 (1-Aminomethyl-3-cyclooctyl-isochroman-5,6-diol | C...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCCCC1 Show InChI InChI=1S/C18H27NO3/c19-11-17-13-8-9-15(20)18(21)14(13)10-16(22-17)12-6-4-2-1-3-5-7-12/h8-9,12,16-17,20-21H,1-7,10-11,19H2/t16?,17-/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	5.80	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007127 (1-Aminomethyl-3-cyclooctyl-isochroman-5,6-diol | C...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCCCC1 Show InChI InChI=1S/C18H27NO3/c19-11-17-13-8-9-15(20)18(21)14(13)10-16(22-17)12-6-4-2-1-3-5-7-12/h8-9,12,16-17,20-21H,1-7,10-11,19H2/t16?,17-/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	760	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