Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50331725
Substrate
n/a
Meas. Tech.
ChEMBL_687876 (CHEMBL1291440)
IC50
51±n/a nM
Citation
 Xue, CB; Wang, A; Meloni, D; Zhang, K; Kong, L; Feng, H; Glenn, J; Huang, T; Zhang, Y; Cao, G; Anand, R; Zheng, C; Xia, M; Han, Q; Robinson, DJ; Storace, L; Shao, L; Li, M; Brodmerkel, CM; Covington, M; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B Discovery of INCB3344, a potent, selective and orally bioavailable antagonist of human and murine CCR2. Bioorg Med Chem Lett 20:7473-8 (2010) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 2
Synonyms:
CCR2_MOUSE | Ccr2 | Cmkbr2
Type:
PROTEIN
Mol. Mass.:
42795.68
Organism:
Mus musculus
Description:
ChEMBL_1502265
Residue:
373
Sequence:
MEDNNMLPQFIHGILSTSHSLFTRSIQELDEGATTPYDYDDGEPCHKTSVKQIGAWILPPLYSLVFIFGFVGNMLVIIILIGCKKLKSMTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVITSVVTWVVAVFASLPGIIFTKSKQDDHHYTCGPYFTQLWKNFQTIMRNILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLFLTTFQESLGMSNCVIDKHLDQAMQVTETLGMTHCCINPVIYAFVGEKFRRYLSIFFRKHIAKRLCKQCPVFYRETADRVSSTFTPSTGEQEVSVGL
  
Inhibitor
Name:
BDBM50331725
Synonyms:
CHEMBL1288324 | N-(2-((3S,4S)-4-(benzyloxy)-1-(cis-4-phenylcyclohexyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C33H36F3N3O3
Mol. Mass.:
579.6524
SMILES:
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CN(C[C@@H]1OCc1ccccc1)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:30.32,33.39,21.23,wD:17.17,(9.66,-37.87,;10.99,-37.1,;12.32,-37.87,;10.97,-38.64,;10.99,-35.56,;12.33,-34.78,;12.32,-33.23,;10.98,-32.47,;9.66,-33.24,;9.66,-34.78,;8.32,-32.47,;8.32,-30.93,;6.99,-33.24,;5.65,-32.47,;4.32,-33.24,;4.32,-34.78,;2.98,-32.47,;1.65,-33.24,;.19,-32.76,;-.71,-34.01,;.19,-35.26,;1.66,-34.78,;2.91,-35.68,;2.76,-37.21,;4.01,-38.12,;3.85,-39.65,;5.1,-40.55,;6.5,-39.92,;6.66,-38.38,;5.41,-37.48,;-2.25,-34.02,;-3.02,-35.36,;-4.57,-35.35,;-5.33,-34.01,;-4.56,-32.68,;-3.03,-32.68,;-6.87,-34.01,;-7.64,-32.67,;-9.18,-32.67,;-9.95,-34,;-9.18,-35.34,;-7.64,-35.34,)|
Structure:
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