BDBM50217114 CHEMBL91460

SMILES: CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(N)ncc2C1

InChI Key: InChIKey=KGMVEMHKBMNSJG-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 = 50217114   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50217114 (CHEMBL91460) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C28H35N5O/c1-2-17-33(25-14-15-26-24(19-25)20-31-28(29)32-26)18-7-6-16-30-27(34)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,20,25H,2,6-7,14-19H2,1H3,(H,30,34)(H2,29,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Tested for the ability to displace [125I]iodosulpiride from human cloned Dopamine receptor D3, expressed in CHO cells				Bioorg Med Chem Lett 9: 2715-20 (1999) BindingDB Entry DOI: 10.7270/Q23X88TZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50217114 (CHEMBL91460) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C28H35N5O/c1-2-17-33(25-14-15-26-24(19-25)20-31-28(29)32-26)18-7-6-16-30-27(34)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,20,25H,2,6-7,14-19H2,1H3,(H,30,34)(H2,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells				Bioorg Med Chem Lett 9: 2715-20 (1999) BindingDB Entry DOI: 10.7270/Q23X88TZ
					More data for this Ligand-Target Pair