BindingDB logo
myBDB logout

BDBM50143757 (2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,4-dimethylpyridin-3-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL58387

SMILES: Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1

InChI Key: InChIKey=KFQMAIZBNWWGPO-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50143757   
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 5


(Homo sapiens (Human))
BDBM50143757
PNG
((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-me...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against monkey C-C chemokine receptor type 5.


J Med Chem 47: 1939-55 (2004)


Article DOI: 10.1021/jm031046g
BindingDB Entry DOI: 10.7270/Q2V12478
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50143757
PNG
((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-me...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.


J Med Chem 47: 1939-55 (2004)


Article DOI: 10.1021/jm031046g
BindingDB Entry DOI: 10.7270/Q2V12478
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50143757
PNG
((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-me...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]RANTES from human CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50143757
PNG
((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-me...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50143757
PNG
((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-me...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50143757
PNG
((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-me...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against human C-C chemokine receptor type 5.


J Med Chem 47: 1939-55 (2004)


Article DOI: 10.1021/jm031046g
BindingDB Entry DOI: 10.7270/Q2V12478
More data for this
Ligand-Target Pair