BindingDB logo
myBDB logout

3 similar compounds to monomer 140197

Compile data set for download or QSAR
Wt: 509.5
BDBM140196
Wt: 513.5
BDBM50346296
Wt: 499.5
BDBM50346304

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 140196,50346296,50346304   
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))
BDBM140196
PNG
(US8906911, 5)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(cnn1)C(F)(F)F
Show InChI InChI=1S/C25H34F3N5O3/c1-35-21-14-36-6-4-20(21)30-17-7-15-3-2-5-24(15,10-17)23(34)33-13-18-9-19(33)12-32(18)22-8-16(11-29-31-22)25(26,27)28/h8,11,15,17-21,30H,2-7,9-10,12-14H2,1H3/t15-,17-,18+,19+,20+,21-,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
104 -8.85 140n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha┬▒16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50346304
PNG
(CHEMBL1782572 | cis-(((1S,3R)-1-isopropyl-3-((3S,4...)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F
Show InChI InChI=1S/C24H36F3N5O3/c1-16(2)23(6-4-18(13-23)29-19-5-11-35-15-20(19)34-3)22(33)32-9-7-31(8-10-32)21-12-17(14-28-30-21)24(25,26)27/h12,14,16,18-20,29H,4-11,13,15H2,1-3H3/t18-,19+,20-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.13E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of labeled dofetilide from human ERG


Bioorg Med Chem Lett 21: 2626-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.034
BindingDB Entry DOI: 10.7270/Q2CJ8DT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50346304
PNG
(CHEMBL1782572 | cis-(((1S,3R)-1-isopropyl-3-((3S,4...)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F
Show InChI InChI=1S/C24H36F3N5O3/c1-16(2)23(6-4-18(13-23)29-19-5-11-35-15-20(19)34-3)22(33)32-9-7-31(8-10-32)21-12-17(14-28-30-21)24(25,26)27/h12,14,16,18-20,29H,4-11,13,15H2,1-3H3/t18-,19+,20-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25.7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 by whole blood assay


Bioorg Med Chem Lett 21: 2626-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.034
BindingDB Entry DOI: 10.7270/Q2CJ8DT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50346304
PNG
(CHEMBL1782572 | cis-(((1S,3R)-1-isopropyl-3-((3S,4...)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F
Show InChI InChI=1S/C24H36F3N5O3/c1-16(2)23(6-4-18(13-23)29-19-5-11-35-15-20(19)34-3)22(33)32-9-7-31(8-10-32)21-12-17(14-28-30-21)24(25,26)27/h12,14,16,18-20,29H,4-11,13,15H2,1-3H3/t18-,19+,20-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 assessed as inhibition of MCP1-induced chemotaxis by cell based assay


Bioorg Med Chem Lett 21: 2626-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.034
BindingDB Entry DOI: 10.7270/Q2CJ8DT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50346304
PNG
(CHEMBL1782572 | cis-(((1S,3R)-1-isopropyl-3-((3S,4...)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F
Show InChI InChI=1S/C24H36F3N5O3/c1-16(2)23(6-4-18(13-23)29-19-5-11-35-15-20(19)34-3)22(33)32-9-7-31(8-10-32)21-12-17(14-28-30-21)24(25,26)27/h12,14,16,18-20,29H,4-11,13,15H2,1-3H3/t18-,19+,20-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 preincubated for 30 mins by human whole cell binding assay


Bioorg Med Chem Lett 21: 2626-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.034
BindingDB Entry DOI: 10.7270/Q2CJ8DT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50346296
PNG
(CHEMBL1782378 | cis-((1S,3R)-1-isopropyl-3-(((3S,4...)
Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F
Show InChI InChI=1S/C25H38F3N5O3/c1-17(2)24(7-5-19(14-24)31(3)20-6-12-36-16-21(20)35-4)23(34)33-10-8-32(9-11-33)22-13-18(15-29-30-22)25(26,27)28/h13,15,17,19-21H,5-12,14,16H2,1-4H3/t19-,20+,21-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 preincubated for 30 mins by human whole cell binding assay


Bioorg Med Chem Lett 21: 2626-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.034
BindingDB Entry DOI: 10.7270/Q2CJ8DT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50346296
PNG
(CHEMBL1782378 | cis-((1S,3R)-1-isopropyl-3-(((3S,4...)
Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F
Show InChI InChI=1S/C25H38F3N5O3/c1-17(2)24(7-5-19(14-24)31(3)20-6-12-36-16-21(20)35-4)23(34)33-10-8-32(9-11-33)22-13-18(15-29-30-22)25(26,27)28/h13,15,17,19-21H,5-12,14,16H2,1-4H3/t19-,20+,21-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 73.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 by whole blood assay


Bioorg Med Chem Lett 21: 2626-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.034
BindingDB Entry DOI: 10.7270/Q2CJ8DT9
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50346296
PNG
(CHEMBL1782378 | cis-((1S,3R)-1-isopropyl-3-(((3S,4...)
Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F
Show InChI InChI=1S/C25H38F3N5O3/c1-17(2)24(7-5-19(14-24)31(3)20-6-12-36-16-21(20)35-4)23(34)33-10-8-32(9-11-33)22-13-18(15-29-30-22)25(26,27)28/h13,15,17,19-21H,5-12,14,16H2,1-4H3/t19-,20+,21-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.28E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of labeled dofetilide from human ERG


Bioorg Med Chem Lett 21: 2626-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.034
BindingDB Entry DOI: 10.7270/Q2CJ8DT9
More data for this
Ligand-Target Pair