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SMILES: COc1cc2CC(C(=O)NCCCCN3CCN(CC3)c3ccccc3F)=C(C)c2cc1OC

InChI Key: InChIKey=PMLIXGHEIFJDMD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50259267   

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))	BDBM50259267 (CHEMBL4099779) Show SMILES COc1cc2CC(C(=O)NCCCCN3CCN(CC3)c3ccccc3F)=C(C)c2cc1OC |t:28| Show InChI InChI=1S/C27H34FN3O3/c1-19-21-18-26(34-3)25(33-2)17-20(21)16-22(19)27(32)29-10-6-7-11-30-12-14-31(15-13-30)24-9-5-4-8-23(24)28/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at D3 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50259267 (CHEMBL4099779) Show SMILES COc1cc2CC(C(=O)NCCCCN3CCN(CC3)c3ccccc3F)=C(C)c2cc1OC |t:28| Show InChI InChI=1S/C27H34FN3O3/c1-19-21-18-26(34-3)25(33-2)17-20(21)16-22(19)27(32)29-10-6-7-11-30-12-14-31(15-13-30)24-9-5-4-8-23(24)28/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3,(H,29,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Galphai2 assessed as inhibition of imetit-induced GTPgamma[35S] binding...				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50259267 (CHEMBL4099779) Show SMILES COc1cc2CC(C(=O)NCCCCN3CCN(CC3)c3ccccc3F)=C(C)c2cc1OC |t:28| Show InChI InChI=1S/C27H34FN3O3/c1-19-21-18-26(34-3)25(33-2)17-20(21)16-22(19)27(32)29-10-6-7-11-30-12-14-31(15-13-30)24-9-5-4-8-23(24)28/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3,(H,29,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at H4 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair