BDBM50036874 4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-amino]-butyl}-benzamide; compound with oxalic acid::CHEMBL298534

SMILES: CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1

InChI Key: InChIKey=DDRVCPLCPBHTHJ-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 = 50036874   

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))	BDBM50036874 (4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...) Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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
D(2) dopamine receptor (BOVINE)	BDBM50036874 (4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...) Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	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
DRD1 (BOVINE)	BDBM50036874 (4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...) Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+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
Serotonin 2a (5-HT2a) receptor (BOVINE)	BDBM50036874 (4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...) Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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
adrenergic Alpha2 (BOVINE)	BDBM50036874 (4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...) Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+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-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
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50036874 (4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...) Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50036874 (4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...) Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Binding affinity against 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 1B/1D receptor (Rattus norvegicus (Rat))	BDBM50036874 (4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...) Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Binding affinity 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