BDBM50220439 CHEMBL64059

SMILES: N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1

InChI Key: InChIKey=VCYFASOCVKPRSB-RUZDIDTESA-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 = 50220439   

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))	BDBM50220439 (CHEMBL64059) Show SMILES N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C27H35N3O3/c28-25(14-7-21-5-2-1-3-6-21)27(32)30-18-16-29(17-19-30)15-4-20-33-24-12-10-23(11-13-24)26(31)22-8-9-22/h1-3,5-6,10-13,22,25H,4,7-9,14-20,28H2/t25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	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))	BDBM50220439 (CHEMBL64059) Show SMILES N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C27H35N3O3/c28-25(14-7-21-5-2-1-3-6-21)27(32)30-18-16-29(17-19-30)15-4-20-33-24-12-10-23(11-13-24)26(31)22-8-9-22/h1-3,5-6,10-13,22,25H,4,7-9,14-20,28H2/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50220439 (CHEMBL64059) Show SMILES N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C27H35N3O3/c28-25(14-7-21-5-2-1-3-6-21)27(32)30-18-16-29(17-19-30)15-4-20-33-24-12-10-23(11-13-24)26(31)22-8-9-22/h1-3,5-6,10-13,22,25H,4,7-9,14-20,28H2/t25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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