null

SMILES: CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC

InChI Key: InChIKey=AADCDMQTJNYOSS-LBPRGKRZSA-N

PDB links: 1 PDB ID matches this monomer.

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 56 hits for monomerid = 50007518   

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))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Astra Research Centre AB Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro				J Med Chem 34: 948-55 (1991) BindingDB Entry DOI: 10.7270/Q2GT5NS9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Antagonist activity at DRD2 (unknown origin) expressed in HEK293T cells transfected with Galphai1-RLuc8 and gamma2-GFP10 assessed as inhibition of qu...				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antidopamine activity in vitro by ability to displace [3H]spiperone from rat brain striatal preparations.				J Med Chem 29: 61-9 (1986) BindingDB Entry DOI: 10.7270/Q2SF2ZCH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissue				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Tested in vitro for inhibition of [3H]spiperone binding to dopamine receptor D2				J Med Chem 36: 3417-23 (1993) BindingDB Entry DOI: 10.7270/Q2S75GZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Affinity constant of compound was evaluated in rat striatum tissue preparation.				J Med Chem 31: 1039-43 (1988) BindingDB Entry DOI: 10.7270/Q2C24X1V
					More data for this Ligand-Target Pair