BDBM50438565 CHEMBL2413153

SMILES: Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O

InChI Key: InChIKey=SXCVVYUSUGUSMW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50438565   

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))	BDBM50438565 (CHEMBL2413153) Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor (unknown origin)				Bioorg Med Chem 21: 5598-604 (2013) Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50438565 (CHEMBL2413153) Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	512	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				Bioorg Med Chem 21: 5598-604 (2013) Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50438565 (CHEMBL2413153) Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Binding affinity to histamine H2 receptor (unknown origin)				Bioorg Med Chem 21: 5598-604 (2013) Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50438565 (CHEMBL2413153) Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Bioorg Med Chem 21: 5598-604 (2013) Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG
					More data for this Ligand-Target Pair