BDBM50440996 CHEMBL2432056

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

InChI Key: InChIKey=JHFKLSFCMAHSDK-LLOIJXFCSA-N

Data: 1 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 1 hit for monomerid = 50440996   

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 H2 Receptor (Homo sapiens (Human))	BDBM50440996 (CHEMBL2432056) Show SMILES COc1ccc(CN(C)[C@@H]2C3C4CC5C6CC(C3C46)C25)cc1OC |r,THB:10:17:15:19.13,9:19:17.18:15,11:18:15:19.13,12:13:17.18:15| Show InChI InChI=1S/C21H27NO2/c1-22(9-10-4-5-15(23-2)16(6-10)24-3)21-18-12-8-13-17-11(12)7-14(18)19(17)20(13)21/h4-6,11-14,17-21H,7-9H2,1-3H3/t11?,12?,13?,14?,17?,18?,19?,20?,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87E+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