BDBM50007145 1-Aminomethyl-isochroman-5,6-diol spirocyclohexane::CHEMBL420604

SMILES: NC[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc12

InChI Key: InChIKey=MWZPAYJAPPEPRS-ZDUSSCGKSA-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 = 50007145   

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)	BDBM50007145 (1-Aminomethyl-isochroman-5,6-diol spirocyclohexane...) Show SMILES NC[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc12 Show InChI InChI=1S/C15H21NO3/c16-9-13-10-4-5-12(17)14(18)11(10)8-15(19-13)6-2-1-3-7-15/h4-5,13,17-18H,1-3,6-9,16H2/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	479	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))	BDBM50007145 (1-Aminomethyl-isochroman-5,6-diol spirocyclohexane...) Show SMILES NC[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc12 Show InChI InChI=1S/C15H21NO3/c16-9-13-10-4-5-12(17)14(18)11(10)8-15(19-13)6-2-1-3-7-15/h4-5,13,17-18H,1-3,6-9,16H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland				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))	BDBM50007145 (1-Aminomethyl-isochroman-5,6-diol spirocyclohexane...) Show SMILES NC[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc12 Show InChI InChI=1S/C15H21NO3/c16-9-13-10-4-5-12(17)14(18)11(10)8-15(19-13)6-2-1-3-7-15/h4-5,13,17-18H,1-3,6-9,16H2/t13-/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	6.68E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland				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))	BDBM50007145 (1-Aminomethyl-isochroman-5,6-diol spirocyclohexane...) Show SMILES NC[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc12 Show InChI InChI=1S/C15H21NO3/c16-9-13-10-4-5-12(17)14(18)11(10)8-15(19-13)6-2-1-3-7-15/h4-5,13,17-18H,1-3,6-9,16H2/t13-/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	69	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