BDBM50052186 4-Acryloylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-benzamide::CHEMBL92192

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

InChI Key: InChIKey=WUDCFECOHMKQLS-INIZCTEOSA-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 = 50052186   

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))	BDBM50052186 (4-Acryloylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5...) Show SMILES COc1cc(NC(=O)C=C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C22H24ClN3O3/c1-3-21(27)25-19-12-20(29-2)17(11-18(19)23)22(28)24-16-9-10-26(14-16)13-15-7-5-4-6-8-15/h3-8,11-12,16H,1,9-10,13-14H2,2H3,(H,24,28)(H,25,27)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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))	BDBM50052186 (4-Acryloylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5...) Show SMILES COc1cc(NC(=O)C=C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C22H24ClN3O3/c1-3-21(27)25-19-12-20(29-2)17(11-18(19)23)22(28)24-16-9-10-26(14-16)13-15-7-5-4-6-8-15/h3-8,11-12,16H,1,9-10,13-14H2,2H3,(H,24,28)(H,25,27)/t16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	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))	BDBM50052186 (4-Acryloylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5...) Show SMILES COc1cc(NC(=O)C=C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C22H24ClN3O3/c1-3-21(27)25-19-12-20(29-2)17(11-18(19)23)22(28)24-16-9-10-26(14-16)13-15-7-5-4-6-8-15/h3-8,11-12,16H,1,9-10,13-14H2,2H3,(H,24,28)(H,25,27)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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