BDBM50290704 CHEMBL330430::CHEMBL97357::[3-(3,4-Dichloro-phenyl)-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-pyrrolidin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone; compound with (E)-but-2-enedioic acid

SMILES: COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=WJEAYMAHIVBPGF-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 = 50290704   

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)	BDBM50290704 (CHEMBL330430 | CHEMBL97357 | [3-(3,4-Dichloro-phen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C42H43Cl2FN4O5/c1-52-36-22-29(23-37(53-2)39(36)54-3)41(51)48-21-17-42(26-48,30-10-13-32(43)33(44)24-30)16-20-47-18-14-28(15-19-47)38(50)40-46-34-6-4-5-7-35(34)49(40)25-27-8-11-31(45)12-9-27/h4-13,22-24,28H,14-21,25-26H2,1-3H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	92	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))	BDBM50290704 (CHEMBL330430 | CHEMBL97357 | [3-(3,4-Dichloro-phen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C42H43Cl2FN4O5/c1-52-36-22-29(23-37(53-2)39(36)54-3)41(51)48-21-17-42(26-48,30-10-13-32(43)33(44)24-30)16-20-47-18-14-28(15-19-47)38(50)40-46-34-6-4-5-7-35(34)49(40)25-27-8-11-31(45)12-9-27/h4-13,22-24,28H,14-21,25-26H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	124	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))	BDBM50290704 (CHEMBL330430 | CHEMBL97357 | [3-(3,4-Dichloro-phen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C42H43Cl2FN4O5/c1-52-36-22-29(23-37(53-2)39(36)54-3)41(51)48-21-17-42(26-48,30-10-13-32(43)33(44)24-30)16-20-47-18-14-28(15-19-47)38(50)40-46-34-6-4-5-7-35(34)49(40)25-27-8-11-31(45)12-9-27/h4-13,22-24,28H,14-21,25-26H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.60	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)	BDBM50290704 (CHEMBL330430 | CHEMBL97357 | [3-(3,4-Dichloro-phen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C42H43Cl2FN4O5/c1-52-36-22-29(23-37(53-2)39(36)54-3)41(51)48-21-17-42(26-48,30-10-13-32(43)33(44)24-30)16-20-47-18-14-28(15-19-47)38(50)40-46-34-6-4-5-7-35(34)49(40)25-27-8-11-31(45)12-9-27/h4-13,22-24,28H,14-21,25-26H2,1-3H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.5	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