BDBM50095800 2-{4-[4-(1,3-Dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-benzoic acid propyl ester::CHEMBL1204239::CHEMBL62017

SMILES: CCCOC(=O)c1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1

InChI Key: InChIKey=VQFKDCAQBFBEIS-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50095800   

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))	BDBM50095800 (2-{4-[4-(1,3-Dioxo-tetrahydro-pyrrolo[1,2-c]imidaz...) Show SMILES CCCOC(=O)c1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C24H34N4O4/c1-2-18-32-23(30)19-8-3-4-9-20(19)26-16-14-25(15-17-26)11-5-6-12-28-22(29)21-10-7-13-27(21)24(28)31/h3-4,8-9,29H,2,5-7,10-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description In vitro binding affinity towards 5-hydroxytryptamine 1A receptor was determined using radioligand [3H]-8-OH-DPAT				J Med Chem 44: 186-97 (2001) BindingDB Entry DOI: 10.7270/Q2RN38MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50095800 (2-{4-[4-(1,3-Dioxo-tetrahydro-pyrrolo[1,2-c]imidaz...) Show SMILES CCCOC(=O)c1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C24H34N4O4/c1-2-18-32-23(30)19-8-3-4-9-20(19)26-16-14-25(15-17-26)11-5-6-12-28-22(29)21-10-7-13-27(21)24(28)31/h3-4,8-9,29H,2,5-7,10-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description In vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes				J Med Chem 44: 198-207 (2001) BindingDB Entry DOI: 10.7270/Q2MW2HWS
					More data for this Ligand-Target Pair