BDBM50440992 CHEMBL2432046

SMILES: COc1ccc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)cc1OC

InChI Key: InChIKey=KNBHNNRMMAKKFI-SEDVZXITSA-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 = 50440992   

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))	BDBM50440992 (CHEMBL2432046) Show SMILES COc1ccc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)cc1OC |r,THB:9:16:14:18.12,8:18:16.17:14,10:17:14:18.12,11:12:16.17:14| Show InChI InChI=1S/C20H25NO2/c1-22-14-4-3-9(5-15(14)23-2)8-21-20-17-11-7-12-16-10(11)6-13(17)18(16)19(12)20/h3-5,10-13,16-21H,6-8H2,1-2H3/t10?,11?,12?,13?,16?,17?,18?,19?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of histamine H1 receptor (unknown origin) by PDSP assay				Bioorg Med Chem 21: 6038-52 (2013) Article DOI: 10.1016/j.bmc.2013.07.045 BindingDB Entry DOI: 10.7270/Q20P11GK
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50440992 (CHEMBL2432046) Show SMILES COc1ccc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)cc1OC |r,THB:9:16:14:18.12,8:18:16.17:14,10:17:14:18.12,11:12:16.17:14| Show InChI InChI=1S/C20H25NO2/c1-22-14-4-3-9(5-15(14)23-2)8-21-20-17-11-7-12-16-10(11)6-13(17)18(16)19(12)20/h3-5,10-13,16-21H,6-8H2,1-2H3/t10?,11?,12?,13?,16?,17?,18?,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of histamine H2 receptor (unknown origin) by PDSP assay				Bioorg Med Chem 21: 6038-52 (2013) Article DOI: 10.1016/j.bmc.2013.07.045 BindingDB Entry DOI: 10.7270/Q20P11GK
					More data for this Ligand-Target Pair