BDBM50220419 CHEMBL63125

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

InChI Key: InChIKey=TVAKGPNWRYKDTE-OAQYLSRUSA-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 = 50220419   

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))	BDBM50220419 (CHEMBL63125) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C27H43N3O5/c1-6-7-8-10-24(31)22-11-13-23(14-12-22)34-20-9-15-29-16-18-30(19-17-29)25(32)21(2)28-26(33)35-27(3,4)5/h11-14,21H,6-10,15-20H2,1-5H3,(H,28,33)/t21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	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))	BDBM50220419 (CHEMBL63125) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C27H43N3O5/c1-6-7-8-10-24(31)22-11-13-23(14-12-22)34-20-9-15-29-16-18-30(19-17-29)25(32)21(2)28-26(33)35-27(3,4)5/h11-14,21H,6-10,15-20H2,1-5H3,(H,28,33)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.76E+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))	BDBM50220419 (CHEMBL63125) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C27H43N3O5/c1-6-7-8-10-24(31)22-11-13-23(14-12-22)34-20-9-15-29-16-18-30(19-17-29)25(32)21(2)28-26(33)35-27(3,4)5/h11-14,21H,6-10,15-20H2,1-5H3,(H,28,33)/t21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.07E+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