BDBM50119508 CHEMBL217981

SMILES: COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1

InChI Key: InChIKey=GTVPXEVAFBWKHY-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 = 50119508   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50119508 (CHEMBL217981) Show SMILES COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1 Show InChI InChI=1S/C27H35BrN6O2/c1-21-26(30-31-34(21)20-22-10-4-5-11-23(22)28)27(35)29-14-8-3-9-15-32-16-18-33(19-17-32)24-12-6-7-13-25(24)36-2/h4-7,10-13H,3,8-9,14-20H2,1-2H3,(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assay				Bioorg Med Chem 23: 6195-209 (2015) BindingDB Entry DOI: 10.7270/Q2WW7KGM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50119508 (CHEMBL217981) Show SMILES COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1 Show InChI InChI=1S/C27H35BrN6O2/c1-21-26(30-31-34(21)20-22-10-4-5-11-23(22)28)27(35)29-14-8-3-9-15-32-16-18-33(19-17-32)24-12-6-7-13-25(24)36-2/h4-7,10-13H,3,8-9,14-20H2,1-2H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293 cell membranes by radioligand competition binding assay				Bioorg Med Chem 23: 6195-209 (2015) BindingDB Entry DOI: 10.7270/Q2WW7KGM
					More data for this Ligand-Target Pair