BindingDB PrimarySearch

BDBM50454212 CHEBI:64217::Emonapride::NEMONAPRIDE::Nemonapride

SMILES: CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C

InChI Key: InChIKey=KRVOJOCLBAAKSJ-UHFFFAOYSA-N

Data: 2 KI 4 IC50 1 Kd

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50454212
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(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50454212 (CHEBI:64217 \| Emonapride \| NEMONAPRIDE \| Nemonapri...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50454212 (CHEBI:64217 \| Emonapride \| NEMONAPRIDE \| Nemonapri...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50454212 (CHEBI:64217 \| Emonapride \| NEMONAPRIDE \| Nemonapri...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to dopamine receptor D2 using a [3H]-spiperone binding assay in rat cortical membranes				J Med Chem 39: 3723-38 (1996) Article DOI: 10.1021/jm960159f BindingDB Entry DOI: 10.7270/Q2CZ368W
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50454212 (CHEBI:64217 \| Emonapride \| NEMONAPRIDE \| Nemonapri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity at recombinant human D4 receptor expressed in CHOK1 cells assessed as inhibition of lisuride-induced beta arrestin2 recruitment p...				J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412
University of Pennsylvania Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50454212 (CHEBI:64217 \| Emonapride \| NEMONAPRIDE \| Nemonapri...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to serotonin 5-hydroxytryptamine 2A receptors using a radioligand [3H]-ketanserin binding assay in rat cortical membranes				J Med Chem 39: 3723-38 (1996) Article DOI: 10.1021/jm960159f BindingDB Entry DOI: 10.7270/Q2CZ368W
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50454212 (CHEBI:64217 \| Emonapride \| NEMONAPRIDE \| Nemonapri...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes				J Med Chem 39: 3723-38 (1996) Article DOI: 10.1021/jm960159f BindingDB Entry DOI: 10.7270/Q2CZ368W
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50454212 (CHEBI:64217 \| Emonapride \| NEMONAPRIDE \| Nemonapri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding Affinity of the compound to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair