BDBM50086114 1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-ethyl}-3-[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-urea::CHEMBL15965

SMILES: COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1

InChI Key: InChIKey=FBHJLENKHMRXEZ-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 = 50086114   

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))	BDBM50086114 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-e...) Show SMILES COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1 Show InChI InChI=1S/C28H37FN6O2/c1-33-13-15-35(16-14-33)26-18-22(4-6-27(26)37-2)32-28(36)30-9-12-34-10-7-20(8-11-34)24-19-31-25-17-21(29)3-5-23(24)25/h3-6,17-20,31H,7-16H2,1-2H3,(H2,30,32,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	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
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM50086114 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-e...) Show SMILES COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1 Show InChI InChI=1S/C28H37FN6O2/c1-33-13-15-35(16-14-33)26-18-22(4-6-27(26)37-2)32-28(36)30-9-12-34-10-7-20(8-11-34)24-19-31-25-17-21(29)3-5-23(24)25/h3-6,17-20,31H,7-16H2,1-2H3,(H2,30,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	223	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
HTR1D (RAT)	BDBM50086114 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-e...) Show SMILES COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1 Show InChI InChI=1S/C28H37FN6O2/c1-33-13-15-35(16-14-33)26-18-22(4-6-27(26)37-2)32-28(36)30-9-12-34-10-7-20(8-11-34)24-19-31-25-17-21(29)3-5-23(24)25/h3-6,17-20,31H,7-16H2,1-2H3,(H2,30,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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