BDBM50052179 CHEMBL93021::N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-chloro-4-isobutyrylamino-2-methoxy-benzamide

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

InChI Key: InChIKey=KOGDZZNXDVXRTP-KRWDZBQOSA-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 = 50052179   

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))	BDBM50052179 (CHEMBL93021 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...) Show SMILES COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C23H28ClN3O3/c1-15(2)22(28)26-20-12-21(30-3)18(11-19(20)24)23(29)25-17-9-10-27(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,28)/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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))	BDBM50052179 (CHEMBL93021 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...) Show SMILES COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C23H28ClN3O3/c1-15(2)22(28)26-20-12-21(30-3)18(11-19(20)24)23(29)25-17-9-10-27(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,28)/t17-/m0/s1	KEGG UniProtKB/SwissProt 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
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))	BDBM50052179 (CHEMBL93021 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...) Show SMILES COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C23H28ClN3O3/c1-15(2)22(28)26-20-12-21(30-3)18(11-19(20)24)23(29)25-17-9-10-27(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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