Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50363949' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363949
(CHEMBL1951774)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccnn1 |r,wU:4.7,wD:10.13,1.0,(-4.96,2.61,;-4.18,1.27,;-3.38,-.05,;-1.84,-.01,;-1.1,1.33,;-1.9,2.65,;-3.44,2.62,;.44,1.36,;1.36,.14,;2.82,.64,;2.79,2.18,;1.32,2.63,;4.11,2.97,;5.46,2.22,;5.48,.68,;6.78,3,;8.12,2.25,;9.45,3.04,;9.43,4.58,;10.79,2.28,;10.8,.74,;12.14,-.01,;13.47,.78,;13.44,2.33,;12.1,3.07,;14.77,3.12,;16.11,2.37,;14.74,4.66,;16.09,3.9,;-5.72,1.23,;-6.52,2.55,;-8.06,2.52,;-8.81,1.16,;-8.01,-.15,;-6.47,-.13,)| Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)17-4-1-3-16(13-17)22(34)28-14-21(33)30-18-8-12-32(15-18)19-6-9-23(35,10-7-19)20-5-2-11-29-31-20/h1-5,11,13,18-19,35H,6-10,12,14-15H2,(H,28,34)(H,30,33)/t18-,19-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins |
ACS Med Chem Lett 2: 450-454 (2011)
Article DOI: 10.1021/ml200030q
BindingDB Entry DOI: 10.7270/Q2WD4116 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363949
(CHEMBL1951774)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccnn1 |r,wU:4.7,wD:10.13,1.0,(-4.96,2.61,;-4.18,1.27,;-3.38,-.05,;-1.84,-.01,;-1.1,1.33,;-1.9,2.65,;-3.44,2.62,;.44,1.36,;1.36,.14,;2.82,.64,;2.79,2.18,;1.32,2.63,;4.11,2.97,;5.46,2.22,;5.48,.68,;6.78,3,;8.12,2.25,;9.45,3.04,;9.43,4.58,;10.79,2.28,;10.8,.74,;12.14,-.01,;13.47,.78,;13.44,2.33,;12.1,3.07,;14.77,3.12,;16.11,2.37,;14.74,4.66,;16.09,3.9,;-5.72,1.23,;-6.52,2.55,;-8.06,2.52,;-8.81,1.16,;-8.01,-.15,;-6.47,-.13,)| Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)17-4-1-3-16(13-17)22(34)28-14-21(33)30-18-8-12-32(15-18)19-6-9-23(35,10-7-19)20-5-2-11-29-31-20/h1-5,11,13,18-19,35H,6-10,12,14-15H2,(H,28,34)(H,30,33)/t18-,19-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC after 30 mins by gamma counter |
ACS Med Chem Lett 2: 450-454 (2011)
Article DOI: 10.1021/ml200030q
BindingDB Entry DOI: 10.7270/Q2WD4116 |
More data for this
Ligand-Target Pair | |
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