BDBM50007138 3-Cyclohexyl-1-cyclopropylaminomethyl-isochroman-5,6-diol::CHEMBL86669

SMILES: Oc1ccc2[C@H](CNC3CC3)OC(Cc2c1O)C1CCCCC1

InChI Key: InChIKey=JMLFTEUVKWTNSN-ZVAWYAOSSA-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 = 50007138   

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)	BDBM50007138 (3-Cyclohexyl-1-cyclopropylaminomethyl-isochroman-5...) Show SMILES Oc1ccc2[C@H](CNC3CC3)OC(Cc2c1O)C1CCCCC1 Show InChI InChI=1S/C19H27NO3/c21-16-9-8-14-15(19(16)22)10-17(12-4-2-1-3-5-12)23-18(14)11-20-13-6-7-13/h8-9,12-13,17-18,20-22H,1-7,10-11H2/t17?,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	329	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))	BDBM50007138 (3-Cyclohexyl-1-cyclopropylaminomethyl-isochroman-5...) Show SMILES Oc1ccc2[C@H](CNC3CC3)OC(Cc2c1O)C1CCCCC1 Show InChI InChI=1S/C19H27NO3/c21-16-9-8-14-15(19(16)22)10-17(12-4-2-1-3-5-12)23-18(14)11-20-13-6-7-13/h8-9,12-13,17-18,20-22H,1-7,10-11H2/t17?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	636	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))	BDBM50007138 (3-Cyclohexyl-1-cyclopropylaminomethyl-isochroman-5...) Show SMILES Oc1ccc2[C@H](CNC3CC3)OC(Cc2c1O)C1CCCCC1 Show InChI InChI=1S/C19H27NO3/c21-16-9-8-14-15(19(16)22)10-17(12-4-2-1-3-5-12)23-18(14)11-20-13-6-7-13/h8-9,12-13,17-18,20-22H,1-7,10-11H2/t17?,18-/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	124	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))	BDBM50007138 (3-Cyclohexyl-1-cyclopropylaminomethyl-isochroman-5...) Show SMILES Oc1ccc2[C@H](CNC3CC3)OC(Cc2c1O)C1CCCCC1 Show InChI InChI=1S/C19H27NO3/c21-16-9-8-14-15(19(16)22)10-17(12-4-2-1-3-5-12)23-18(14)11-20-13-6-7-13/h8-9,12-13,17-18,20-22H,1-7,10-11H2/t17?,18-/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	>1.00E+4	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