BDBM50061636 2-{[3-(3-Amino-4-chloro-phenoxy)-propylamino]-methyl}-chroman-7-ol; oxalic acid::CHEMBL135201

SMILES: Nc1cc(OCCCNCC2CCc3ccc(O)cc3O2)ccc1Cl

InChI Key: InChIKey=AVVHLOOXCWDKCY-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 = 50061636   

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))	BDBM50061636 (2-{[3-(3-Amino-4-chloro-phenoxy)-propylamino]-meth...) Show SMILES Nc1cc(OCCCNCC2CCc3ccc(O)cc3O2)ccc1Cl Show InChI InChI=1S/C19H23ClN2O3/c20-17-7-6-15(11-18(17)21)24-9-1-8-22-12-16-5-3-13-2-4-14(23)10-19(13)25-16/h2,4,6-7,10-11,16,22-23H,1,3,5,8-9,12,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50061636 (2-{[3-(3-Amino-4-chloro-phenoxy)-propylamino]-meth...) Show SMILES Nc1cc(OCCCNCC2CCc3ccc(O)cc3O2)ccc1Cl Show InChI InChI=1S/C19H23ClN2O3/c20-17-7-6-15(11-18(17)21)24-9-1-8-22-12-16-5-3-13-2-4-14(23)10-19(13)25-16/h2,4,6-7,10-11,16,22-23H,1,3,5,8-9,12,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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))	BDBM50061636 (2-{[3-(3-Amino-4-chloro-phenoxy)-propylamino]-meth...) Show SMILES Nc1cc(OCCCNCC2CCc3ccc(O)cc3O2)ccc1Cl Show InChI InChI=1S/C19H23ClN2O3/c20-17-7-6-15(11-18(17)21)24-9-1-8-22-12-16-5-3-13-2-4-14(23)10-19(13)25-16/h2,4,6-7,10-11,16,22-23H,1,3,5,8-9,12,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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