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BDBM50116721 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(3-isopropyl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-2-[(Z)-methoxyimino]-pentyl}-N-methyl-benzamide::CHEMBL76437

SMILES: CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NBJOVNZRQQUMDG-GANGTWLCSA-N

Data: 3 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50116721   
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))
BDBM50116721
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(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H41Cl4N5O3/c1-21(2)40-11-5-12-41(32(40)43)26-8-13-39(14-9-26)15-10-27(22-6-7-28(35)29(36)18-22)30(37-44-4)20-38(3)31(42)23-16-24(33)19-25(34)17-23/h6-7,16-19,21,26-27H,5,8-15,20H2,1-4H3/b37-30+/t27-/m1/s1
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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 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-K receptor


(Homo sapiens (Human))
BDBM50116721
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(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H41Cl4N5O3/c1-21(2)40-11-5-12-41(32(40)43)26-8-13-39(14-9-26)15-10-27(22-6-7-28(35)29(36)18-22)30(37-44-4)20-38(3)31(42)23-16-24(33)19-25(34)17-23/h6-7,16-19,21,26-27H,5,8-15,20H2,1-4H3/b37-30+/t27-/m1/s1
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PC sid
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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
Substance-P receptor


(Homo sapiens (human))
BDBM50116721
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(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H41Cl4N5O3/c1-21(2)40-11-5-12-41(32(40)43)26-8-13-39(14-9-26)15-10-27(22-6-7-28(35)29(36)18-22)30(37-44-4)20-38(3)31(42)23-16-24(33)19-25(34)17-23/h6-7,16-19,21,26-27H,5,8-15,20H2,1-4H3/b37-30+/t27-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/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