BDBM50116741 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[3-(2-methoxy-ethyl)-2-oxo-2,3-dihydro-benzoimidazol-1-yl]-piperidin-1-yl}-2-[(Z)-methoxyimino]-pentyl}-N-ethyl-benzamide::CHEMBL306124

SMILES: CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=NFVAMSHCYQJREM-PRESXLHZSA-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 = 50116741   

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))	BDBM50116741 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...) Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C36H41Cl4N5O4/c1-4-43(35(46)25-19-26(37)22-27(38)20-25)23-32(41-49-3)29(24-9-10-30(39)31(40)21-24)13-16-42-14-11-28(12-15-42)45-34-8-6-5-7-33(34)44(36(45)47)17-18-48-2/h5-10,19-22,28-29H,4,11-18,23H2,1-3H3/b41-32+/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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))	BDBM50116741 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...) Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C36H41Cl4N5O4/c1-4-43(35(46)25-19-26(37)22-27(38)20-25)23-32(41-49-3)29(24-9-10-30(39)31(40)21-24)13-16-42-14-11-28(12-15-42)45-34-8-6-5-7-33(34)44(36(45)47)17-18-48-2/h5-10,19-22,28-29H,4,11-18,23H2,1-3H3/b41-32+/t29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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))	BDBM50116741 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...) Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C36H41Cl4N5O4/c1-4-43(35(46)25-19-26(37)22-27(38)20-25)23-32(41-49-3)29(24-9-10-30(39)31(40)21-24)13-16-42-14-11-28(12-15-42)45-34-8-6-5-7-33(34)44(36(45)47)17-18-48-2/h5-10,19-22,28-29H,4,11-18,23H2,1-3H3/b41-32+/t29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	572	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