BindingDB logo
myBDB logout

BDBM50203834 2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]piperidin-4-yl}amino)sulfonyl]-1-naphthyl}benzamide::2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]piperidin-4-yl}amino)sulfonyl]-1-naphthyl}benzamide)::CHEMBL386308

SMILES: Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1

InChI Key: InChIKey=GKEJTJFRAKDFAV-VWLOTQADSA-N

Data: 2 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 2 hits for monomerid = 50203834   
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 8


(Homo sapiens (Human))
BDBM50203834
PNG
(2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]p...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C28H32N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33)/t25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203834
PNG
(2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]p...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C28H32N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33)/t25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair