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BDBM50091453 (E)-3-(3,4-Dichloro-phenyl)-N-{3-[4-(1H-indol-3-yl)-piperidin-1-yl]-propyl}-acrylamide::(E)-N-(3-(4-(1H-indol-3-yl)piperidin-1-yl)propyl)-3-(3,4-dichlorophenyl)acrylamide::CHEMBL297950::TCMDC-139332

SMILES: Clc1ccc(\C=C\C(=O)NCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl

InChI Key: InChIKey=OWUZRSKHAOSPIO-VQHVLOKHSA-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 = 50091453   
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 2


(Homo sapiens (Human))
BDBM50091453
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{3-[4-(1H-indol-3-yl...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C25H27Cl2N3O/c26-22-8-6-18(16-23(22)27)7-9-25(31)28-12-3-13-30-14-10-19(11-15-30)21-17-29-24-5-2-1-4-20(21)24/h1-2,4-9,16-17,19,29H,3,10-15H2,(H,28,31)/b9-7+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor


Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091453
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{3-[4-(1H-indol-3-yl...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C25H27Cl2N3O/c26-22-8-6-18(16-23(22)27)7-9-25(31)28-12-3-13-30-14-10-19(11-15-30)21-17-29-24-5-2-1-4-20(21)24/h1-2,4-9,16-17,19,29H,3,10-15H2,(H,28,31)/b9-7+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00347-4
BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair