BDBM50116744 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(3-furan-3-ylmethyl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-2-[(Z)-methoxyimino]-pentyl}-N-methyl-benzamide::CHEMBL307733

SMILES: CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccoc2)C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=BEMWOCKAHZVMIH-YCTXJJCUSA-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 = 50116744   

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))	BDBM50116744 (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(Cc2ccoc2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl4N5O4/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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))	BDBM50116744 (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(Cc2ccoc2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl4N5O4/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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))	BDBM50116744 (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(Cc2ccoc2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl4N5O4/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	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 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