BDBM50061646 2-{[3-(3-Methyl-benzo[d]isoxazol-6-yloxy)-propylamino]-methyl}-chroman-7-ol; oxalic acid::CHEMBL134930

SMILES: Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12

InChI Key: InChIKey=OLYVLNMYFDULPJ-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 = 50061646   

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))	BDBM50061646 (2-{[3-(3-Methyl-benzo[d]isoxazol-6-yloxy)-propylam...) Show SMILES Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12 Show InChI InChI=1S/C21H24N2O4/c1-14-19-8-7-17(12-21(19)27-23-14)25-10-2-9-22-13-18-6-4-15-3-5-16(24)11-20(15)26-18/h3,5,7-8,11-12,18,22,24H,2,4,6,9-10,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.300	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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50061646 (2-{[3-(3-Methyl-benzo[d]isoxazol-6-yloxy)-propylam...) Show SMILES Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12 Show InChI InChI=1S/C21H24N2O4/c1-14-19-8-7-17(12-21(19)27-23-14)25-10-2-9-22-13-18-6-4-15-3-5-16(24)11-20(15)26-18/h3,5,7-8,11-12,18,22,24H,2,4,6,9-10,13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.300	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50061646 (2-{[3-(3-Methyl-benzo[d]isoxazol-6-yloxy)-propylam...) Show SMILES Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12 Show InChI InChI=1S/C21H24N2O4/c1-14-19-8-7-17(12-21(19)27-23-14)25-10-2-9-22-13-18-6-4-15-3-5-16(24)11-20(15)26-18/h3,5,7-8,11-12,18,22,24H,2,4,6,9-10,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	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