BDBM50535224 CHEMBL4540849

SMILES: OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1

InChI Key: InChIKey=RFBPYYRKGLJNEU-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 = 50535224   

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 H3 receptor (Homo sapiens (Human))	BDBM50535224 (CHEMBL4540849) Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1 Show InChI InChI=1S/C22H29NO/c1-4-10-20(11-5-1)21-12-14-22(15-13-21)24-19-9-3-8-18-23-16-6-2-7-17-23/h1,4-5,10-15H,2-3,6-9,16-19H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant full length H3R expressed in HEK293 cell membranes incubated for 90 mins by liqui...				Bioorg Med Chem 25: 5341-5354 (2017) Article DOI: 10.1016/j.bmc.2017.07.058
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50535224 (CHEMBL4540849) Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1 Show InChI InChI=1S/C22H29NO/c1-4-10-20(11-5-1)21-12-14-22(15-13-21)24-19-9-3-8-18-23-16-6-2-7-17-23/h1,4-5,10-15H,2-3,6-9,16-19H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human recombinant H4R expressed in CHO cells incubated for 60 mins by microbeta scintillation counter method				Bioorg Med Chem 25: 5341-5354 (2017) Article DOI: 10.1016/j.bmc.2017.07.058
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50535224 (CHEMBL4540849) Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1 Show InChI InChI=1S/C22H29NO/c1-4-10-20(11-5-1)21-12-14-22(15-13-21)24-19-9-3-8-18-23-16-6-2-7-17-23/h1,4-5,10-15H,2-3,6-9,16-19H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human H3R expressed in HEK293 cells assessed as reduction in R)(-)-alpha methylhistamine-induced inhibition of forskolin-induc...				Bioorg Med Chem 25: 5341-5354 (2017) Article DOI: 10.1016/j.bmc.2017.07.058
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50535224 (CHEMBL4540849) Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1 Show InChI InChI=1S/C22H29NO/c1-4-10-20(11-5-1)21-12-14-22(15-13-21)24-19-9-3-8-18-23-16-6-2-7-17-23/h1,4-5,10-15H,2-3,6-9,16-19H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells at holding potential of -90 mV by patch clamp method				Bioorg Med Chem 25: 5341-5354 (2017) Article DOI: 10.1016/j.bmc.2017.07.058
					More data for this Ligand-Target Pair