BDBM50019956 1-[5-(5-Ethanesulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine::CHEMBL60648

SMILES: CCS(=O)(=O)c1ccc(OC)c(c1)-c1ccc(CN2CCN(CC2)c2ccccc2OC)[nH]1

InChI Key: InChIKey=BGDYEYPXORXJHR-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 = 50019956   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019956 (1-[5-(5-Ethanesulfonyl-2-methoxy-phenyl)-1H-pyrrol...) Show SMILES CCS(=O)(=O)c1ccc(OC)c(c1)-c1ccc(CN2CCN(CC2)c2ccccc2OC)[nH]1 Show InChI InChI=1S/C25H31N3O4S/c1-4-33(29,30)20-10-12-24(31-2)21(17-20)22-11-9-19(26-22)18-27-13-15-28(16-14-27)23-7-5-6-8-25(23)32-3/h5-12,17,26H,4,13-16,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019956 (1-[5-(5-Ethanesulfonyl-2-methoxy-phenyl)-1H-pyrrol...) Show SMILES CCS(=O)(=O)c1ccc(OC)c(c1)-c1ccc(CN2CCN(CC2)c2ccccc2OC)[nH]1 Show InChI InChI=1S/C25H31N3O4S/c1-4-33(29,30)20-10-12-24(31-2)21(17-20)22-11-9-19(26-22)18-27-13-15-28(16-14-27)23-7-5-6-8-25(23)32-3/h5-12,17,26H,4,13-16,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat				J Med Chem 30: 2099-104 (1987) BindingDB Entry DOI: 10.7270/Q2W959R8
					More data for this Ligand-Target Pair