BDBM50337421 (1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropanecarboxamide::CHEMBL1682624

SMILES: CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=DGLDUQZIRFLLRH-QVWWMRLHSA-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 = 50337421   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337421 ((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...) Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H35Cl2N3O2/c1-23(38)35-31(25-11-7-4-8-12-25)15-17-37(18-16-31)22-27-20-32(27,26-13-14-28(33)29(34)19-26)30(39)36(2)21-24-9-5-3-6-10-24/h3-14,19,27H,15-18,20-22H2,1-2H3,(H,35,38)/t27-,32+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50337421 ((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...) Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H35Cl2N3O2/c1-23(38)35-31(25-11-7-4-8-12-25)15-17-37(18-16-31)22-27-20-32(27,26-13-14-28(33)29(34)19-26)30(39)36(2)21-24-9-5-3-6-10-24/h3-14,19,27H,15-18,20-22H2,1-2H3,(H,35,38)/t27-,32+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human cloned NK2 receptor				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50337421 ((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...) Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H35Cl2N3O2/c1-23(38)35-31(25-11-7-4-8-12-25)15-17-37(18-16-31)22-27-20-32(27,26-13-14-28(33)29(34)19-26)30(39)36(2)21-24-9-5-3-6-10-24/h3-14,19,27H,15-18,20-22H2,1-2H3,(H,35,38)/t27-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair