BDBM50116738 CHEMBL307877::[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-ethyl-amino]-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperidin-4-yl)-2-oxo-2,3-dihydro-benzoimidazol-1-yl]-acetic acid

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

InChI Key: InChIKey=DMPBNZKYHOVYRU-HSMZZXILSA-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 = 50116738   

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))	BDBM50116738 (CHEMBL307877 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl...) Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C35H37Cl4N5O5/c1-3-42(34(47)23-16-24(36)19-25(37)17-23)20-30(40-49-2)27(22-8-9-28(38)29(39)18-22)12-15-41-13-10-26(11-14-41)44-32-7-5-4-6-31(32)43(35(44)48)21-33(45)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H,45,46)/b40-30+/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	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))	BDBM50116738 (CHEMBL307877 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl...) Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C35H37Cl4N5O5/c1-3-42(34(47)23-16-24(36)19-25(37)17-23)20-30(40-49-2)27(22-8-9-28(38)29(39)18-22)12-15-41-13-10-26(11-14-41)44-32-7-5-4-6-31(32)43(35(44)48)21-33(45)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H,45,46)/b40-30+/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	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))	BDBM50116738 (CHEMBL307877 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl...) Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C35H37Cl4N5O5/c1-3-42(34(47)23-16-24(36)19-25(37)17-23)20-30(40-49-2)27(22-8-9-28(38)29(39)18-22)12-15-41-13-10-26(11-14-41)44-32-7-5-4-6-31(32)43(35(44)48)21-33(45)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H,45,46)/b40-30+/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	176	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