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BDBM50161407 CHEMBL178447::[(3S,4S)-4-(3,4-Dichloro-benzyl)-3-hydroxymethyl-[1,4'']bipiperidinyl-1''-yl]-quinolin-6-yl-methanone

SMILES: OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1

InChI Key: InChIKey=BKSRLDUBSLBPQQ-OFNKIYASSA-N

Data: 5 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 5 hits for monomerid = 50161407   
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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161407
PNG
(CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1
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Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161407
PNG
(CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1
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Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Macaca mulatta)
BDBM50161407
PNG
(CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1
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Article
PubMed
7.20n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against monkey CC chemokine receptor 3


Bioorg Med Chem Lett 15: 1375-8 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Mus musculus)
BDBM50161407
PNG
(CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1
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PubMed
606n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against mouse CC chemokine receptor 3


Bioorg Med Chem Lett 15: 1375-8 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Rattus norvegicus)
BDBM50161407
PNG
(CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.98E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against rat CC chemokine receptor 3


Bioorg Med Chem Lett 15: 1375-8 (2005)

More data for this
Ligand-Target Pair