BDBM50116720 CHEMBL77042::[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-amino]-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperidin-4-yl)-2-oxo-2,3-dihydro-benzoimidazol-1-yl]-acetic acid

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

InChI Key: InChIKey=FRDDXKUSVLZWRL-BERJDBMDSA-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 = 50116720   

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))	BDBM50116720 (CHEMBL77042 | [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)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H35Cl4N5O5/c1-40(33(46)22-15-23(35)18-24(36)16-22)19-29(39-48-2)26(21-7-8-27(37)28(38)17-21)11-14-41-12-9-25(10-13-41)43-31-6-4-3-5-30(31)42(34(43)47)20-32(44)45/h3-8,15-18,25-26H,9-14,19-20H2,1-2H3,(H,44,45)/b39-29+/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	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))	BDBM50116720 (CHEMBL77042 | [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)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H35Cl4N5O5/c1-40(33(46)22-15-23(35)18-24(36)16-22)19-29(39-48-2)26(21-7-8-27(37)28(38)17-21)11-14-41-12-9-25(10-13-41)43-31-6-4-3-5-30(31)42(34(43)47)20-32(44)45/h3-8,15-18,25-26H,9-14,19-20H2,1-2H3,(H,44,45)/b39-29+/t26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	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))	BDBM50116720 (CHEMBL77042 | [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)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H35Cl4N5O5/c1-40(33(46)22-15-23(35)18-24(36)16-22)19-29(39-48-2)26(21-7-8-27(37)28(38)17-21)11-14-41-12-9-25(10-13-41)43-31-6-4-3-5-30(31)42(34(43)47)20-32(44)45/h3-8,15-18,25-26H,9-14,19-20H2,1-2H3,(H,44,45)/b39-29+/t26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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