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BDBM50116715 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[3-(N-hydroxycarbamimidoylmethyl)-2-oxo-tetrahydro-pyrimidin-1-yl]-piperidin-1-yl}-2-[(Z)-methoxyimino]-pentyl}-N-methyl-benzamide::CHEMBL404599

SMILES: CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=N)NO)C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=WBTKINCCINTBEY-KFZUGWGMSA-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 = 50116715   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116715
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=N)NO)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H39Cl4N7O4/c1-39(30(43)21-14-22(32)17-23(33)15-21)18-28(38-46-2)25(20-4-5-26(34)27(35)16-20)8-13-40-11-6-24(7-12-40)42-10-3-9-41(31(42)44)19-29(36)37-45/h4-5,14-17,24-25,45H,3,6-13,18-19H2,1-2H3,(H2,36,37)/b38-28+/t25-/m1/s1
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Article
PubMed
0.5n/an/an/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50116715
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=N)NO)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H39Cl4N7O4/c1-39(30(43)21-14-22(32)17-23(33)15-21)18-28(38-46-2)25(20-4-5-26(34)27(35)16-20)8-13-40-11-6-24(7-12-40)42-10-3-9-41(31(42)44)19-29(36)37-45/h4-5,14-17,24-25,45H,3,6-13,18-19H2,1-2H3,(H2,36,37)/b38-28+/t25-/m1/s1
PDB
MMDB

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Article
PubMed
0.600n/an/an/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116715
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=N)NO)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H39Cl4N7O4/c1-39(30(43)21-14-22(32)17-23(33)15-21)18-28(38-46-2)25(20-4-5-26(34)27(35)16-20)8-13-40-11-6-24(7-12-40)42-10-3-9-41(31(42)44)19-29(36)37-45/h4-5,14-17,24-25,45H,3,6-13,18-19H2,1-2H3,(H2,36,37)/b38-28+/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair