Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 451.5 BDBM50086110

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50086110 (3-(5-Fluoro-1H-indol-3-yl)-pyrrolidine-1-carboxyli...) Show SMILES COc1ccc(NC(=O)N2CCC(C2)c2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H30FN5O2/c1-29-9-11-30(12-10-29)23-14-19(4-6-24(23)33-2)28-25(32)31-8-7-17(16-31)21-15-27-22-5-3-18(26)13-20(21)22/h3-6,13-15,17,27H,7-12,16H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	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
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50086110 (3-(5-Fluoro-1H-indol-3-yl)-pyrrolidine-1-carboxyli...) Show SMILES COc1ccc(NC(=O)N2CCC(C2)c2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H30FN5O2/c1-29-9-11-30(12-10-29)23-14-19(4-6-24(23)33-2)28-25(32)31-8-7-17(16-31)21-15-27-22-5-3-18(26)13-20(21)22/h3-6,13-15,17,27H,7-12,16H2,1-2H3,(H,28,32)	PDB Reactome pathway 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 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 1D (RAT)	BDBM50086110 (3-(5-Fluoro-1H-indol-3-yl)-pyrrolidine-1-carboxyli...) Show SMILES COc1ccc(NC(=O)N2CCC(C2)c2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H30FN5O2/c1-29-9-11-30(12-10-29)23-14-19(4-6-24(23)33-2)28-25(32)31-8-7-17(16-31)21-15-27-22-5-3-18(26)13-20(21)22/h3-6,13-15,17,27H,7-12,16H2,1-2H3,(H,28,32)	PDB Reactome pathway 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 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