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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM123079'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM123079
PNG
(US10213421, Example 5 | US11612596, Example 5. | U...)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC(F)F |r|
Show InChI InChI=1S/C27H32ClF2N5O3/c1-16-11-18(3-4-21(16)28)15-34-9-7-20(8-10-34)35-22(5-6-25(35)36)27(38)33-24-13-19(12-17(2)32-24)26(37)31-14-23(29)30/h3-4,11-13,20,22-23H,5-10,14-15H2,1-2H3,(H,31,37)(H,32,33,38)/t22-/m1/s1
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Similars

US Patent
4.60n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123079
PNG
(US10213421, Example 5 | US11612596, Example 5. | U...)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC(F)F |r|
Show InChI InChI=1S/C27H32ClF2N5O3/c1-16-11-18(3-4-21(16)28)15-34-9-7-20(8-10-34)35-22(5-6-25(35)36)27(38)33-24-13-19(12-17(2)32-24)26(37)31-14-23(29)30/h3-4,11-13,20,22-23H,5-10,14-15H2,1-2H3,(H,31,37)(H,32,33,38)/t22-/m1/s1
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US Patent
4.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125lodine-eotaxi...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D50RVC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123079
PNG
(US10213421, Example 5 | US11612596, Example 5. | U...)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC(F)F |r|
Show InChI InChI=1S/C27H32ClF2N5O3/c1-16-11-18(3-4-21(16)28)15-34-9-7-20(8-10-34)35-22(5-6-25(35)36)27(38)33-24-13-19(12-17(2)32-24)26(37)31-14-23(29)30/h3-4,11-13,20,22-23H,5-10,14-15H2,1-2H3,(H,31,37)(H,32,33,38)/t22-/m1/s1
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US Patent
4.60n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68BF
More data for this
Ligand-Target Pair