BDBM50290707 CHEMBL330367::CHEMBL330462::[3-(3,4-Dimethoxy-phenyl)-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-pyrrolidin-1-yl]-(3,4,5-triethoxy-phenyl)-methanone; compound with (E)-but-2-enedioic acid

SMILES: CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=GMDILGHWZUFMEQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50290707   

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
Neurokinin 1 receptor (GUINEA PIG)	BDBM50290707 (CHEMBL330367 | CHEMBL330462 | [3-(3,4-Dimethoxy-ph...) Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C47H55FN4O7/c1-6-57-41-27-34(28-42(58-7-2)44(41)59-8-3)46(54)51-26-22-47(31-51,35-15-18-39(55-4)40(29-35)56-5)21-25-50-23-19-33(20-24-50)43(53)45-49-37-11-9-10-12-38(37)52(45)30-32-13-16-36(48)17-14-32/h9-18,27-29,33H,6-8,19-26,30-31H2,1-5H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of the guinea pig tachykinin NK1 receptor				Bioorg Med Chem Lett 7: 2819-2824 (1997) Article DOI: 10.1016/S0960-894X(97)10097-X BindingDB Entry DOI: 10.7270/Q29S1RJ0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50290707 (CHEMBL330367 | CHEMBL330462 | [3-(3,4-Dimethoxy-ph...) Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C47H55FN4O7/c1-6-57-41-27-34(28-42(58-7-2)44(41)59-8-3)46(54)51-26-22-47(31-51,35-15-18-39(55-4)40(29-35)56-5)21-25-50-23-19-33(20-24-50)43(53)45-49-37-11-9-10-12-38(37)52(45)30-32-13-16-36(48)17-14-32/h9-18,27-29,33H,6-8,19-26,30-31H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of the human histamine H1 receptor				Bioorg Med Chem Lett 7: 2819-2824 (1997) Article DOI: 10.1016/S0960-894X(97)10097-X BindingDB Entry DOI: 10.7270/Q29S1RJ0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50290707 (CHEMBL330367 | CHEMBL330462 | [3-(3,4-Dimethoxy-ph...) Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C47H55FN4O7/c1-6-57-41-27-34(28-42(58-7-2)44(41)59-8-3)46(54)51-26-22-47(31-51,35-15-18-39(55-4)40(29-35)56-5)21-25-50-23-19-33(20-24-50)43(53)45-49-37-11-9-10-12-38(37)52(45)30-32-13-16-36(48)17-14-32/h9-18,27-29,33H,6-8,19-26,30-31H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.80	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)	BDBM50290707 (CHEMBL330367 | CHEMBL330462 | [3-(3,4-Dimethoxy-ph...) Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C47H55FN4O7/c1-6-57-41-27-34(28-42(58-7-2)44(41)59-8-3)46(54)51-26-22-47(31-51,35-15-18-39(55-4)40(29-35)56-5)21-25-50-23-19-33(20-24-50)43(53)45-49-37-11-9-10-12-38(37)52(45)30-32-13-16-36(48)17-14-32/h9-18,27-29,33H,6-8,19-26,30-31H2,1-5H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.90	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