BDBM50095817 2-{4-[4-(1,3-Dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-benzonitrile::CHEMBL1204235::CHEMBL61614

SMILES: Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1C#N

InChI Key: InChIKey=QSLRNTRVEJLWTM-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 = 50095817   

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))	BDBM50095817 (2-{4-[4-(1,3-Dioxo-tetrahydro-pyrrolo[1,2-c]imidaz...) Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C21H27N5O2/c22-16-17-6-1-2-7-18(17)24-14-12-23(13-15-24)9-3-4-10-26-20(27)19-8-5-11-25(19)21(26)28/h1-2,6-7,27H,3-5,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	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))	BDBM50095817 (2-{4-[4-(1,3-Dioxo-tetrahydro-pyrrolo[1,2-c]imidaz...) Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C21H27N5O2/c22-16-17-6-1-2-7-18(17)24-14-12-23(13-15-24)9-3-4-10-26-20(27)19-8-5-11-25(19)21(26)28/h1-2,6-7,27H,3-5,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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