BDBM50220436 CHEMBL64896

SMILES: O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H]2CCN2)cc1

InChI Key: InChIKey=KMEARAZYHMRMGA-IBGZPJMESA-N

Data: 3 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 3 hits for monomerid = 50220436   

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 (Rattus norvegicus (rat))	BDBM50220436 (CHEMBL64896) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H]2CCN2)cc1 Show InChI InChI=1S/C21H29N3O3/c25-20(16-2-3-16)17-4-6-18(7-5-17)27-15-1-10-23-11-13-24(14-12-23)21(26)19-8-9-22-19/h4-7,16,19,22H,1-3,8-15H2/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Histamine H3 receptor of rat cortical membranes.				Bioorg Med Chem Lett 12: 2035-7 (2002) BindingDB Entry DOI: 10.7270/Q2RB75SX
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50220436 (CHEMBL64896) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H]2CCN2)cc1 Show InChI InChI=1S/C21H29N3O3/c25-20(16-2-3-16)17-4-6-18(7-5-17)27-15-1-10-23-11-13-24(14-12-23)21(26)19-8-9-22-19/h4-7,16,19,22H,1-3,8-15H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Histamine H1 receptor of human membranes.				Bioorg Med Chem Lett 12: 2035-7 (2002) BindingDB Entry DOI: 10.7270/Q2RB75SX
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50220436 (CHEMBL64896) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H]2CCN2)cc1 Show InChI InChI=1S/C21H29N3O3/c25-20(16-2-3-16)17-4-6-18(7-5-17)27-15-1-10-23-11-13-24(14-12-23)21(26)19-8-9-22-19/h4-7,16,19,22H,1-3,8-15H2/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Histamine H2 receptor from human membranes				Bioorg Med Chem Lett 12: 2035-7 (2002) BindingDB Entry DOI: 10.7270/Q2RB75SX
					More data for this Ligand-Target Pair