BDBM50116742 CHEMBL75479::[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-amino]-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperidin-4-yl)-2-oxo-tetrahydro-pyrimidin-1-yl]-acetic acid benzyl ester

SMILES: CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=O)OCc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=VMUJISIYYNPJBE-RDBHFRHXSA-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 = 50116742   

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))	BDBM50116742 (CHEMBL75479 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=O)OCc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C38H43Cl4N5O5/c1-44(37(49)28-19-29(39)22-30(40)20-28)23-35(43-51-2)32(27-9-10-33(41)34(42)21-27)13-18-45-16-11-31(12-17-45)47-15-6-14-46(38(47)50)24-36(48)52-25-26-7-4-3-5-8-26/h3-5,7-10,19-22,31-32H,6,11-18,23-25H2,1-2H3/b43-35+/t32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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))	BDBM50116742 (CHEMBL75479 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=O)OCc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C38H43Cl4N5O5/c1-44(37(49)28-19-29(39)22-30(40)20-28)23-35(43-51-2)32(27-9-10-33(41)34(42)21-27)13-18-45-16-11-31(12-17-45)47-15-6-14-46(38(47)50)24-36(48)52-25-26-7-4-3-5-8-26/h3-5,7-10,19-22,31-32H,6,11-18,23-25H2,1-2H3/b43-35+/t32-/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))	BDBM50116742 (CHEMBL75479 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=O)OCc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C38H43Cl4N5O5/c1-44(37(49)28-19-29(39)22-30(40)20-28)23-35(43-51-2)32(27-9-10-33(41)34(42)21-27)13-18-45-16-11-31(12-17-45)47-15-6-14-46(38(47)50)24-36(48)52-25-26-7-4-3-5-8-26/h3-5,7-10,19-22,31-32H,6,11-18,23-25H2,1-2H3/b43-35+/t32-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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