BDBM50220420 CHEMBL63112

SMILES: CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1

InChI Key: InChIKey=UNKGZIGUDPASTI-SANMLTNESA-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 = 50220420   

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))	BDBM50220420 (CHEMBL63112) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C30H49N3O5/c1-7-8-9-11-27(34)24-12-14-25(15-13-24)37-21-10-16-32-17-19-33(20-18-32)28(35)26(22-23(2)3)31-29(36)38-30(4,5)6/h12-15,23,26H,7-11,16-22H2,1-6H3,(H,31,36)/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	112	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 H2 receptor (Homo sapiens (Human))	BDBM50220420 (CHEMBL63112) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C30H49N3O5/c1-7-8-9-11-27(34)24-12-14-25(15-13-24)37-21-10-16-32-17-19-33(20-18-32)28(35)26(22-23(2)3)31-29(36)38-30(4,5)6/h12-15,23,26H,7-11,16-22H2,1-6H3,(H,31,36)/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.47E+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 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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50220420 (CHEMBL63112) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C30H49N3O5/c1-7-8-9-11-27(34)24-12-14-25(15-13-24)37-21-10-16-32-17-19-33(20-18-32)28(35)26(22-23(2)3)31-29(36)38-30(4,5)6/h12-15,23,26H,7-11,16-22H2,1-6H3,(H,31,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.13E+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