BDBM50061688 2-[(3-Methyl-butylamino)-methyl]-chroman-7-ol; oxalic acid::CHEMBL134843

SMILES: CC(C)CCNCC1CCc2ccc(O)cc2O1

InChI Key: InChIKey=QUTOZVVXGBXVSP-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50061688   

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))	BDBM50061688 (2-[(3-Methyl-butylamino)-methyl]-chroman-7-ol; oxa...) Show SMILES CC(C)CCNCC1CCc2ccc(O)cc2O1 Show InChI InChI=1S/C15H23NO2/c1-11(2)7-8-16-10-14-6-4-12-3-5-13(17)9-15(12)18-14/h3,5,9,11,14,16-17H,4,6-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...				J Med Chem 40: 4235-56 (1998) Article DOI: 10.1021/jm9703653 BindingDB Entry DOI: 10.7270/Q2KP82TD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50061688 (2-[(3-Methyl-butylamino)-methyl]-chroman-7-ol; oxa...) Show SMILES CC(C)CCNCC1CCc2ccc(O)cc2O1 Show InChI InChI=1S/C15H23NO2/c1-11(2)7-8-16-10-14-6-4-12-3-5-13(17)9-15(12)18-14/h3,5,9,11,14,16-17H,4,6-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the antagonist [3H]spiperone + GTP to label the low affinity stat...				J Med Chem 40: 4235-56 (1998) Article DOI: 10.1021/jm9703653 BindingDB Entry DOI: 10.7270/Q2KP82TD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50061688 (2-[(3-Methyl-butylamino)-methyl]-chroman-7-ol; oxa...) Show SMILES CC(C)CCNCC1CCc2ccc(O)cc2O1 Show InChI InChI=1S/C15H23NO2/c1-11(2)7-8-16-10-14-6-4-12-3-5-13(17)9-15(12)18-14/h3,5,9,11,14,16-17H,4,6-8,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand				J Med Chem 40: 4235-56 (1998) Article DOI: 10.1021/jm9703653 BindingDB Entry DOI: 10.7270/Q2KP82TD
					More data for this Ligand-Target Pair