BDBM50220425 CHEMBL302468

SMILES: N[C@@H](C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1)c1ccccc1

InChI Key: InChIKey=PIIKAHNRVYTSPK-HSZRJFAPSA-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 = 50220425   

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))	BDBM50220425 (CHEMBL302468) Show SMILES N[C@@H](C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1)c1ccccc1 Show InChI InChI=1S/C25H31N3O3/c26-23(19-5-2-1-3-6-19)25(30)28-16-14-27(15-17-28)13-4-18-31-22-11-9-21(10-12-22)24(29)20-7-8-20/h1-3,5-6,9-12,20,23H,4,7-8,13-18,26H2/t23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	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))	BDBM50220425 (CHEMBL302468) Show SMILES N[C@@H](C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1)c1ccccc1 Show InChI InChI=1S/C25H31N3O3/c26-23(19-5-2-1-3-6-19)25(30)28-16-14-27(15-17-28)13-4-18-31-22-11-9-21(10-12-22)24(29)20-7-8-20/h1-3,5-6,9-12,20,23H,4,7-8,13-18,26H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.57E+3	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))	BDBM50220425 (CHEMBL302468) Show SMILES N[C@@H](C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1)c1ccccc1 Show InChI InChI=1S/C25H31N3O3/c26-23(19-5-2-1-3-6-19)25(30)28-16-14-27(15-17-28)13-4-18-31-22-11-9-21(10-12-22)24(29)20-7-8-20/h1-3,5-6,9-12,20,23H,4,7-8,13-18,26H2/t23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.45E+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