BDBM50116731 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(2-oxo-3-pyridin-2-ylmethyl-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-pentyl}-N-methyl-benzamide::CHEMBL76580

SMILES: CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=XUGHCVWAIHDURA-KADXFBGESA-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 = 50116731   

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))	BDBM50116731 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H40Cl4N6O3/c1-42(34(46)25-18-26(36)21-27(37)19-25)23-33(41-48-2)30(24-7-8-31(38)32(39)20-24)11-17-43-15-9-29(10-16-43)45-14-5-13-44(35(45)47)22-28-6-3-4-12-40-28/h3-4,6-8,12,18-21,29-30H,5,9-11,13-17,22-23H2,1-2H3/b41-33+/t30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.700	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))	BDBM50116731 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H40Cl4N6O3/c1-42(34(46)25-18-26(36)21-27(37)19-25)23-33(41-48-2)30(24-7-8-31(38)32(39)20-24)11-17-43-15-9-29(10-16-43)45-14-5-13-44(35(45)47)22-28-6-3-4-12-40-28/h3-4,6-8,12,18-21,29-30H,5,9-11,13-17,22-23H2,1-2H3/b41-33+/t30-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.700	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))	BDBM50116731 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H40Cl4N6O3/c1-42(34(46)25-18-26(36)21-27(37)19-25)23-33(41-48-2)30(24-7-8-31(38)32(39)20-24)11-17-43-15-9-29(10-16-43)45-14-5-13-44(35(45)47)22-28-6-3-4-12-40-28/h3-4,6-8,12,18-21,29-30H,5,9-11,13-17,22-23H2,1-2H3/b41-33+/t30-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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