BDBM50056035 CHEMBL107336::Pyrimidine-4-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide

SMILES: COc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1

InChI Key: InChIKey=JUASUUUSTHHWOL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50056035   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056035 (CHEMBL107336 | Pyrimidine-4-carboxylic acid {2-[4-...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1 Show InChI InChI=1S/C18H23N5O2/c1-25-17-5-3-2-4-16(17)23-12-10-22(11-13-23)9-8-20-18(24)15-6-7-19-14-21-15/h2-7,14H,8-13H2,1H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056035 (CHEMBL107336 | Pyrimidine-4-carboxylic acid {2-[4-...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1 Show InChI InChI=1S/C18H23N5O2/c1-25-17-5-3-2-4-16(17)23-12-10-22(11-13-23)9-8-20-18(24)15-6-7-19-14-21-15/h2-7,14H,8-13H2,1H3,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair