BDBM50290731 CHEMBL96466::[3-Benzo[1,3]dioxol-5-yl-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-pyrrolidin-1-yl]-(2,4-dichloro-phenyl)-methanone

SMILES: Fc1ccc(Cn2c(nc3ccccc23)C(=O)C2CCN(CCC3(CCN(C3)C(=O)c3ccc(Cl)cc3Cl)c3ccc4OCOc4c3)CC2)cc1

InChI Key: InChIKey=QPFYLKDZMPQIPZ-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50290731   

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 H1 receptor (Homo sapiens (Human))	BDBM50290731 (CHEMBL96466 | [3-Benzo[1,3]dioxol-5-yl-3-(2-{4-[1-...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C(=O)C2CCN(CCC3(CCN(C3)C(=O)c3ccc(Cl)cc3Cl)c3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C40H37Cl2FN4O4/c41-29-8-11-31(32(42)22-29)39(49)46-20-16-40(24-46,28-7-12-35-36(21-28)51-25-50-35)15-19-45-17-13-27(14-18-45)37(48)38-44-33-3-1-2-4-34(33)47(38)23-26-5-9-30(43)10-6-26/h1-12,21-22,27H,13-20,23-25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against histamine H1 receptor				Bioorg Med Chem Lett 7: 2825-2830 (1997) Article DOI: 10.1016/S0960-894X(97)10098-1 BindingDB Entry DOI: 10.7270/Q2SF2W50
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (GUINEA PIG)	BDBM50290731 (CHEMBL96466 | [3-Benzo[1,3]dioxol-5-yl-3-(2-{4-[1-...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C(=O)C2CCN(CCC3(CCN(C3)C(=O)c3ccc(Cl)cc3Cl)c3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C40H37Cl2FN4O4/c41-29-8-11-31(32(42)22-29)39(49)46-20-16-40(24-46,28-7-12-35-36(21-28)51-25-50-35)15-19-45-17-13-27(14-18-45)37(48)38-44-33-3-1-2-4-34(33)47(38)23-26-5-9-30(43)10-6-26/h1-12,21-22,27H,13-20,23-25H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 7: 2825-2830 (1997) Article DOI: 10.1016/S0960-894X(97)10098-1 BindingDB Entry DOI: 10.7270/Q2SF2W50
					More data for this Ligand-Target Pair