BDBM50052182 CHEMBL330318::N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-(2,2,2-trifluoro-acetylamino)-benzamide

SMILES: COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1

InChI Key: InChIKey=DIEABLOXDOWYQT-AWEZNQCLSA-N

Data: 3 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 3 hits for monomerid = 50052182   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50052182 (CHEMBL330318 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...) Show SMILES COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C21H21ClF3N3O3/c1-31-18-10-17(27-20(30)21(23,24)25)16(22)9-15(18)19(29)26-14-7-8-28(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,26,29)(H,27,30)/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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 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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50052182 (CHEMBL330318 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...) Show SMILES COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C21H21ClF3N3O3/c1-31-18-10-17(27-20(30)21(23,24)25)16(22)9-15(18)19(29)26-14-7-8-28(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,26,29)(H,27,30)/t14-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	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))	BDBM50052182 (CHEMBL330318 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...) Show SMILES COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C21H21ClF3N3O3/c1-31-18-10-17(27-20(30)21(23,24)25)16(22)9-15(18)19(29)26-14-7-8-28(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,26,29)(H,27,30)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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