Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50363948' 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)) | BDBM50363948
(CHEMBL1951773)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncnc1 |r,wU:4.7,wD:10.13,1.0,(-5.3,-43.56,;-4.53,-44.91,;-3.72,-46.22,;-2.19,-46.19,;-1.44,-44.84,;-2.24,-43.52,;-3.78,-43.55,;.1,-44.81,;1.02,-46.04,;2.48,-45.53,;2.45,-43.99,;.97,-43.55,;3.77,-43.21,;5.11,-43.96,;5.13,-45.5,;6.44,-43.17,;7.78,-43.93,;9.11,-43.14,;9.09,-41.6,;10.45,-43.89,;10.46,-45.43,;11.8,-46.19,;13.13,-45.4,;13.1,-43.85,;11.76,-43.1,;14.42,-43.06,;15.77,-43.81,;14.4,-41.52,;15.75,-42.28,;-6.07,-44.94,;-6.81,-46.3,;-8.35,-46.33,;-9.15,-45.01,;-8.4,-43.66,;-6.87,-43.63,)| Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)17-3-1-2-16(10-17)22(34)30-13-21(33)31-19-6-9-32(14-19)20-4-7-23(35,8-5-20)18-11-28-15-29-12-18/h1-3,10-12,15,19-20,35H,4-9,13-14H2,(H,30,34)(H,31,33)/t19-,20-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | 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 | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363948
(CHEMBL1951773)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncnc1 |r,wU:4.7,wD:10.13,1.0,(-5.3,-43.56,;-4.53,-44.91,;-3.72,-46.22,;-2.19,-46.19,;-1.44,-44.84,;-2.24,-43.52,;-3.78,-43.55,;.1,-44.81,;1.02,-46.04,;2.48,-45.53,;2.45,-43.99,;.97,-43.55,;3.77,-43.21,;5.11,-43.96,;5.13,-45.5,;6.44,-43.17,;7.78,-43.93,;9.11,-43.14,;9.09,-41.6,;10.45,-43.89,;10.46,-45.43,;11.8,-46.19,;13.13,-45.4,;13.1,-43.85,;11.76,-43.1,;14.42,-43.06,;15.77,-43.81,;14.4,-41.52,;15.75,-42.28,;-6.07,-44.94,;-6.81,-46.3,;-8.35,-46.33,;-9.15,-45.01,;-8.4,-43.66,;-6.87,-43.63,)| Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)17-3-1-2-16(10-17)22(34)30-13-21(33)31-19-6-9-32(14-19)20-4-7-23(35,8-5-20)18-11-28-15-29-12-18/h1-3,10-12,15,19-20,35H,4-9,13-14H2,(H,30,34)(H,31,33)/t19-,20-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | 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 | |