BindingDB PrimarySearch

BDBM50005120 CHEMBL274491::N-((2S,3S)-1-Benzyl-2-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamide::N-(1-Benzyl-2-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamide::Nemonapride::YM-09151-2

SMILES: CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C

InChI Key: InChIKey=KRVOJOCLBAAKSJ-KSSFIOAISA-N

Data: 27 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50005120
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Eur J Pharmacol 291: 59-66 (1995) Article DOI: 10.1016/0922-4106(95)90125-6 BindingDB Entry DOI: 10.7270/Q2TT4PHV
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP K_i Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
Washington University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP K_i Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
Washington University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP K_i Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
Washington University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP K_i Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
Washington University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Eur J Pharmacol 291: 59-66 (1995) Article DOI: 10.1016/0922-4106(95)90125-6 BindingDB Entry DOI: 10.7270/Q2TT4PHV
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
DRD2 (GUINEA PIG)	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Eur J Pharmacol 291: 59-66 (1995) Article DOI: 10.1016/0922-4106(95)90125-6 BindingDB Entry DOI: 10.7270/Q2TT4PHV
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
DRD2 (GUINEA PIG)	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Eur J Pharmacol 291: 59-66 (1995) Article DOI: 10.1016/0922-4106(95)90125-6 BindingDB Entry DOI: 10.7270/Q2TT4PHV
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP K_i Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
Washington University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP K_i Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
Washington University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
DRD2 (CANINE)	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Nature 350: 610-4 (1991) Article DOI: 10.1038/350610a0 BindingDB Entry DOI: 10.7270/Q24T6GVD
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Eur J Pharmacol 291: 59-66 (1995) Article DOI: 10.1016/0922-4106(95)90125-6 BindingDB Entry DOI: 10.7270/Q2TT4PHV
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
DRD2 (CANINE)	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Nature 350: 610-4 (1991) Article DOI: 10.1038/350610a0 BindingDB Entry DOI: 10.7270/Q24T6GVD
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Nature 350: 610-4 (1991) Article DOI: 10.1038/350610a0 BindingDB Entry DOI: 10.7270/Q24T6GVD
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lund Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards DA D-2 receptor using radioligand [3H]SPI				J Med Chem 35: 2355-63 (1992) BindingDB Entry DOI: 10.7270/Q2R2120B
University of Lund Curated by ChEMBL					More data for this Ligand-Target Pair
DRD2 (GUINEA PIG)	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Eur J Pharmacol 291: 59-66 (1995) Article DOI: 10.1016/0922-4106(95)90125-6 BindingDB Entry DOI: 10.7270/Q2TT4PHV
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Eur J Pharmacol 291: 59-66 (1995) Article DOI: 10.1016/0922-4106(95)90125-6 BindingDB Entry DOI: 10.7270/Q2TT4PHV
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Eur J Pharmacol 291: 59-66 (1995) Article DOI: 10.1016/0922-4106(95)90125-6 BindingDB Entry DOI: 10.7270/Q2TT4PHV
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Synapse 25: 137-46 (1997) Article DOI: 10.1002/(SICI)1098-2396(199702)25:2 BindingDB Entry DOI: 10.7270/Q2WH2NH6
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Synapse 25: 137-46 (1997) Article DOI: 10.1002/(SICI)1098-2396(199702)25:2 BindingDB Entry DOI: 10.7270/Q2WH2NH6
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-HT3A Serotonin Receptor (Mus musculus (house mouse))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	526	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005120 (CHEMBL274491 \| N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
University of Lund Curated by ChEMBL					Assay Description Inhibitory concentration required for displacing radioligand [3H]SPI from DA D-2 receptor				J Med Chem 35: 2355-63 (1992) BindingDB Entry DOI: 10.7270/Q2R2120B
University of Lund Curated by ChEMBL					More data for this Ligand-Target Pair