BDBM50116721 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(3-isopropyl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-2-[(Z)-methoxyimino]-pentyl}-N-methyl-benzamide::CHEMBL76437

SMILES: CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NBJOVNZRQQUMDG-GANGTWLCSA-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 = 50116721   

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))	BDBM50116721 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H41Cl4N5O3/c1-21(2)40-11-5-12-41(32(40)43)26-8-13-39(14-9-26)15-10-27(22-6-7-28(35)29(36)18-22)30(37-44-4)20-38(3)31(42)23-16-24(33)19-25(34)17-23/h6-7,16-19,21,26-27H,5,8-15,20H2,1-4H3/b37-30+/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	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
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50116721 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H41Cl4N5O3/c1-21(2)40-11-5-12-41(32(40)43)26-8-13-39(14-9-26)15-10-27(22-6-7-28(35)29(36)18-22)30(37-44-4)20-38(3)31(42)23-16-24(33)19-25(34)17-23/h6-7,16-19,21,26-27H,5,8-15,20H2,1-4H3/b37-30+/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50116721 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H41Cl4N5O3/c1-21(2)40-11-5-12-41(32(40)43)26-8-13-39(14-9-26)15-10-27(22-6-7-28(35)29(36)18-22)30(37-44-4)20-38(3)31(42)23-16-24(33)19-25(34)17-23/h6-7,16-19,21,26-27H,5,8-15,20H2,1-4H3/b37-30+/t27-/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