BDBM50036849 1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl}-4,4-dimethyl-piperidine-2,6-dione; compound with oxalic acid::CHEMBL52485

SMILES: CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1

InChI Key: InChIKey=KZRCUUSRYFALEA-UHFFFAOYSA-N

Data: 1 KI  7 IC50

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 8 hits for monomerid = 50036849   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50036849 (1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement				J Med Chem 39: 126-34 (1996) Article DOI: 10.1021/jm950410b BindingDB Entry DOI: 10.7270/Q2VX0K7V
					More data for this Ligand-Target Pair
DRD1 (BOVINE)	BDBM50036849 (1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D1 in calf striatum				J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ
					More data for this Ligand-Target Pair
adrenergic Alpha2 (BOVINE)	BDBM50036849 (1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex				J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50036849 (1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Binding affinity against D2 receptor in calf caudate nucleus				J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ
					More data for this Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50036849 (1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex				J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ
					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM50036849 (1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1B receptor in rat cortex, striatum and globus pallidus				J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50036849 (1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A (5-HT1A) receptor in rat hippocampus membranes				J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ
					More data for this Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor (BOVINE)	BDBM50036849 (1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex				J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ
					More data for this Ligand-Target Pair