BDBM50170125 CHEMBL3805663

SMILES: N#C\N=C(\NCCCc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1

InChI Key: InChIKey=CKOTYYLRRLWBGH-MSOLQXFVSA-N

Data: 1 KI  1 EC50

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 = 50170125   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50170125 (CHEMBL3805663) Show SMILES N#C\N=C(\NCCCc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C20H26N6/c21-14-25-20(23-10-4-7-16-5-2-1-3-6-16)24-12-17-8-9-18(11-17)19-13-22-15-26-19/h1-3,5-6,13,15,17-18H,4,7-12H2,(H,22,26)(H2,23,24,25)/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]mepyramine from human histamine H1 receptor expressed in sf9 cell membrane co-expressing RGS4 incubated for 60 mins by liquid sci...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50170125 (CHEMBL3805663) Show SMILES N#C\N=C(\NCCCc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C20H26N6/c21-14-25-20(23-10-4-7-16-5-2-1-3-6-16)24-12-17-8-9-18(11-17)19-13-22-15-26-19/h1-3,5-6,13,15,17-18H,4,7-12H2,(H,22,26)(H2,23,24,25)/t17-,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	372	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair