BDBM50129513 CHEMBL71397::N-[2-(3,4-Dichloro-phenyl)-4-(4-hydroxy-4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide

SMILES: CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

InChI Key: InChIKey=KBIKENJDJYPBNS-UHFFFAOYSA-N

Data: 2 KI  1 IC50  1 Kd

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 = 50129513   

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 2 receptor (Rattus norvegicus (Rat))	BDBM50129513 (CHEMBL71397 | N-[2-(3,4-Dichloro-phenyl)-4-(4-hydr...) Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32Cl2N2O2/c1-32(28(34)22-8-4-2-5-9-22)21-24(23-12-13-26(30)27(31)20-23)14-17-33-18-15-29(35,16-19-33)25-10-6-3-7-11-25/h2-13,20,24,35H,14-19,21H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes				Bioorg Med Chem Lett 3: 925-930 (1993) Article DOI: 10.1016/S0960-894X(00)80694-0 BindingDB Entry DOI: 10.7270/Q2N29WW1
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Bos taurus)	BDBM50129513 (CHEMBL71397 | N-[2-(3,4-Dichloro-phenyl)-4-(4-hydr...) Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32Cl2N2O2/c1-32(28(34)22-8-4-2-5-9-22)21-24(23-12-13-26(30)27(31)20-23)14-17-33-18-15-29(35,16-19-33)25-10-6-3-7-11-25/h2-13,20,24,35H,14-19,21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Binding affinity against bovine Tachykinin receptor 2				Bioorg Med Chem Lett 14: 4779-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.053 BindingDB Entry DOI: 10.7270/Q2VH5PKB
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50129513 (CHEMBL71397 | N-[2-(3,4-Dichloro-phenyl)-4-(4-hydr...) Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32Cl2N2O2/c1-32(28(34)22-8-4-2-5-9-22)21-24(23-12-13-26(30)27(31)20-23)14-17-33-18-15-29(35,16-19-33)25-10-6-3-7-11-25/h2-13,20,24,35H,14-19,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay				J Med Chem 45: 5365-77 (2002) BindingDB Entry DOI: 10.7270/Q2JD4Z0T
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50129513 (CHEMBL71397 | N-[2-(3,4-Dichloro-phenyl)-4-(4-hydr...) Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32Cl2N2O2/c1-32(28(34)22-8-4-2-5-9-22)21-24(23-12-13-26(30)27(31)20-23)14-17-33-18-15-29(35,16-19-33)25-10-6-3-7-11-25/h2-13,20,24,35H,14-19,21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for human tachykinin receptor 2 expressed in CHO cells using [125I]- NKA radioligand				Bioorg Med Chem Lett 13: 2211-5 (2003) BindingDB Entry DOI: 10.7270/Q2D799TN
					More data for this Ligand-Target Pair