BDBM50388685 CHEMBL2059321

SMILES: Fc1cccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c12

InChI Key: InChIKey=TVMPFYXRKKJWDF-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50388685   

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))	BDBM50388685 (CHEMBL2059321) Show SMILES Fc1cccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c12 Show InChI InChI=1S/C23H25FN4O3/c24-17-5-3-6-18-22(17)28(23(30)25-18)16-9-13-26(14-10-16)11-4-12-27-19-7-1-2-8-20(19)31-15-21(27)29/h1-3,5-8,16H,4,9-15H2,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50388685 (CHEMBL2059321) Show SMILES Fc1cccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c12 Show InChI InChI=1S/C23H25FN4O3/c24-17-5-3-6-18-22(17)28(23(30)25-18)16-9-13-26(14-10-16)11-4-12-27-19-7-1-2-8-20(19)31-15-21(27)29/h1-3,5-8,16H,4,9-15H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells after 30 mins by Rb+ flux assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair