BDBM50086106 1-[3-(2-Dimethylamino-ethoxy)-4-methoxy-phenyl]-3-{2-[4-(6-fluoro-1H-indol-3-yl)-piperidin-1-yl]-ethyl}-urea::CHEMBL279320

SMILES: COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1OCCN(C)C

InChI Key: InChIKey=DOWMZCCWUBICMR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50086106   

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
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM50086106 (1-[3-(2-Dimethylamino-ethoxy)-4-methoxy-phenyl]-3-...) Show SMILES COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1OCCN(C)C Show InChI InChI=1S/C27H36FN5O3/c1-32(2)14-15-36-26-17-21(5-7-25(26)35-3)31-27(34)29-10-13-33-11-8-19(9-12-33)23-18-30-24-16-20(28)4-6-22(23)24/h4-7,16-19,30H,8-15H2,1-3H3,(H2,29,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.				J Med Chem 43: 1149-57 (2000) BindingDB Entry DOI: 10.7270/Q2VD6XPX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50086106 (1-[3-(2-Dimethylamino-ethoxy)-4-methoxy-phenyl]-3-...) Show SMILES COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1OCCN(C)C Show InChI InChI=1S/C27H36FN5O3/c1-32(2)14-15-36-26-17-21(5-7-25(26)35-3)31-27(34)29-10-13-33-11-8-19(9-12-33)23-18-30-24-16-20(28)4-6-22(23)24/h4-7,16-19,30H,8-15H2,1-3H3,(H2,29,31,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.				J Med Chem 43: 1149-57 (2000) BindingDB Entry DOI: 10.7270/Q2VD6XPX
					More data for this Ligand-Target Pair
HTR1D (RAT)	BDBM50086106 (1-[3-(2-Dimethylamino-ethoxy)-4-methoxy-phenyl]-3-...) Show SMILES COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1OCCN(C)C Show InChI InChI=1S/C27H36FN5O3/c1-32(2)14-15-36-26-17-21(5-7-25(26)35-3)31-27(34)29-10-13-33-11-8-19(9-12-33)23-18-30-24-16-20(28)4-6-22(23)24/h4-7,16-19,30H,8-15H2,1-3H3,(H2,29,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	433	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1D receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.				J Med Chem 43: 1149-57 (2000) BindingDB Entry DOI: 10.7270/Q2VD6XPX
					More data for this Ligand-Target Pair