BDBM50535223 CHEMBL4586133

SMILES: OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1

InChI Key: InChIKey=MGNUUPFOORCXCU-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 50535223   

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))	BDBM50535223 (CHEMBL4586133) Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1 Show InChI InChI=1S/C23H31NO/c1-2-8-18-24(17-7-1)19-9-4-10-20-25-23-15-13-22(14-16-23)21-11-5-3-6-12-21/h3,5-6,11-16H,1-2,4,7-10,17-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	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 H1 receptor (Homo sapiens (Human))	BDBM50535223 (CHEMBL4586133) Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1 Show InChI InChI=1S/C23H31NO/c1-2-8-18-24(17-7-1)19-9-4-10-20-25-23-15-13-22(14-16-23)21-11-5-3-6-12-21/h3,5-6,11-16H,1-2,4,7-10,17-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.27E+3	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]pyrilamine from human H1 receptor expressed in CHOK1 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 receptor (H3 and H4) (Homo sapiens (Human))	BDBM50535223 (CHEMBL4586133) Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1 Show InChI InChI=1S/C23H31NO/c1-2-8-18-24(17-7-1)19-9-4-10-20-25-23-15-13-22(14-16-23)21-11-5-3-6-12-21/h3,5-6,11-16H,1-2,4,7-10,17-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.18E+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))	BDBM50535223 (CHEMBL4586133) Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1 Show InChI InChI=1S/C23H31NO/c1-2-8-18-24(17-7-1)19-9-4-10-20-25-23-15-13-22(14-16-23)21-11-5-3-6-12-21/h3,5-6,11-16H,1-2,4,7-10,17-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	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)	BDBM50535223 (CHEMBL4586133) Show SMILES OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1 Show InChI InChI=1S/C23H31NO/c1-2-8-18-24(17-7-1)19-9-4-10-20-25-23-15-13-22(14-16-23)21-11-5-3-6-12-21/h3,5-6,11-16H,1-2,4,7-10,17-20H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.03E+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