BDBM50116725 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(3-methylcarbamoylmethyl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-pentyl}-N-methyl-benzamide::CHEMBL310334

SMILES: CNC(=O)CN1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O

InChI Key: InChIKey=LMJTUYSCJIQXFP-KTPANICASA-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 = 50116725   

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 (Homo sapiens (Human))	BDBM50116725 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CNC(=O)CN1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C32H40Cl4N6O4/c1-37-30(43)20-41-10-4-11-42(32(41)45)25-7-12-40(13-8-25)14-9-26(21-5-6-27(35)28(36)17-21)29(38-46-3)19-39(2)31(44)22-15-23(33)18-24(34)16-22/h5-6,15-18,25-26H,4,7-14,19-20H2,1-3H3,(H,37,43)/b38-29+/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50116725 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CNC(=O)CN1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C32H40Cl4N6O4/c1-37-30(43)20-41-10-4-11-42(32(41)45)25-7-12-40(13-8-25)14-9-26(21-5-6-27(35)28(36)17-21)29(38-46-3)19-39(2)31(44)22-15-23(33)18-24(34)16-22/h5-6,15-18,25-26H,4,7-14,19-20H2,1-3H3,(H,37,43)/b38-29+/t26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116725 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CNC(=O)CN1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C32H40Cl4N6O4/c1-37-30(43)20-41-10-4-11-42(32(41)45)25-7-12-40(13-8-25)14-9-26(21-5-6-27(35)28(36)17-21)29(38-46-3)19-39(2)31(44)22-15-23(33)18-24(34)16-22/h5-6,15-18,25-26H,4,7-14,19-20H2,1-3H3,(H,37,43)/b38-29+/t26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair