BDBM50116740 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(3-morpholin-4-yl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-pentyl}-N-methyl-benzamide::CHEMBL451235

SMILES: CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=KSZGGGOZKNJLSY-RBUJZUCOSA-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 = 50116740   

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))	BDBM50116740 (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(N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H42Cl4N6O4/c1-39(32(44)24-18-25(34)21-26(35)19-24)22-31(38-46-2)28(23-4-5-29(36)30(37)20-23)8-13-40-11-6-27(7-12-40)42-9-3-10-43(33(42)45)41-14-16-47-17-15-41/h4-5,18-21,27-28H,3,6-17,22H2,1-2H3/b38-31+/t28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.5	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 1 receptor (Homo sapiens (Human))	BDBM50116740 (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(N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H42Cl4N6O4/c1-39(32(44)24-18-25(34)21-26(35)19-24)22-31(38-46-2)28(23-4-5-29(36)30(37)20-23)8-13-40-11-6-27(7-12-40)42-9-3-10-43(33(42)45)41-14-16-47-17-15-41/h4-5,18-21,27-28H,3,6-17,22H2,1-2H3/b38-31+/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 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))	BDBM50116740 (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(N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H42Cl4N6O4/c1-39(32(44)24-18-25(34)21-26(35)19-24)22-31(38-46-2)28(23-4-5-29(36)30(37)20-23)8-13-40-11-6-27(7-12-40)42-9-3-10-43(33(42)45)41-14-16-47-17-15-41/h4-5,18-21,27-28H,3,6-17,22H2,1-2H3/b38-31+/t28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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