BDBM50116729 (R)-2-[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-amino]-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperidin-4-yl)-2-oxo-tetrahydro-pyrimidin-1-yl]-3-(4-hydroxy-phenyl)-propionic acid ethyl ester::CHEMBL75698

SMILES: CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O

InChI Key: InChIKey=OFUFYXNPWNFQBY-MOYQKVPZSA-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 = 50116729   

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 2 receptor (Homo sapiens (Human))	BDBM50116729 ((R)-2-[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-...) Show SMILES CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C40H47Cl4N5O6/c1-4-55-39(52)37(20-26-6-9-32(50)10-7-26)49-16-5-15-48(40(49)53)31-12-17-47(18-13-31)19-14-33(27-8-11-34(43)35(44)23-27)36(45-54-3)25-46(2)38(51)28-21-29(41)24-30(42)22-28/h6-11,21-24,31,33,37,50H,4-5,12-20,25H2,1-3H3/b45-36+/t33-,37-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50116729 ((R)-2-[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-...) Show SMILES CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C40H47Cl4N5O6/c1-4-55-39(52)37(20-26-6-9-32(50)10-7-26)49-16-5-15-48(40(49)53)31-12-17-47(18-13-31)19-14-33(27-8-11-34(43)35(44)23-27)36(45-54-3)25-46(2)38(51)28-21-29(41)24-30(42)22-28/h6-11,21-24,31,33,37,50H,4-5,12-20,25H2,1-3H3/b45-36+/t33-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116729 ((R)-2-[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-...) Show SMILES CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C40H47Cl4N5O6/c1-4-55-39(52)37(20-26-6-9-32(50)10-7-26)49-16-5-15-48(40(49)53)31-12-17-47(18-13-31)19-14-33(27-8-11-34(43)35(44)23-27)36(45-54-3)25-46(2)38(51)28-21-29(41)24-30(42)22-28/h6-11,21-24,31,33,37,50H,4-5,12-20,25H2,1-3H3/b45-36+/t33-,37-/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