BDBM50110653 3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-N-hydroxycarbamimidoylmethoxyimino]-5-(2-oxo-[1,4']bipiperidinyl-1'-yl)-pentyl]-N-methyl-benzamide::CHEMBL355041

SMILES: CN(C\C(=N/OCC(=N)NO)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=SARPBFWIJDNMRR-KFZUGWGMSA-N

Data: 2 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 2 hits for monomerid = 50110653   

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))	BDBM50110653 (3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CN(C\C(=N/OCC(=N)NO)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C31H38Cl4N6O4/c1-39(31(43)21-14-22(32)17-23(33)15-21)18-28(38-45-19-29(36)37-44)25(20-5-6-26(34)27(35)16-20)9-13-40-11-7-24(8-12-40)41-10-3-2-4-30(41)42/h5-6,14-17,24-25,44H,2-4,7-13,18-19H2,1H3,(H2,36,37)/b38-28+/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	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 a radioligand				Bioorg Med Chem Lett 12: 833-6 (2002) BindingDB Entry DOI: 10.7270/Q2BG2N96
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50110653 (3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CN(C\C(=N/OCC(=N)NO)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C31H38Cl4N6O4/c1-39(31(43)21-14-22(32)17-23(33)15-21)18-28(38-45-19-29(36)37-44)25(20-5-6-26(34)27(35)16-20)9-13-40-11-7-24(8-12-40)41-10-3-2-4-30(41)42/h5-6,14-17,24-25,44H,2-4,7-13,18-19H2,1H3,(H2,36,37)/b38-28+/t25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 2 in CHO cells using [3H]-NKA as a radioligand				Bioorg Med Chem Lett 12: 833-6 (2002) BindingDB Entry DOI: 10.7270/Q2BG2N96
					More data for this Ligand-Target Pair