Ki Summary

Reaction Details

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Target

C-C chemokine receptor type 2

Ligand

BDBM50331723

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_687876 (CHEMBL1291440)

IC50

1.9±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 Lett20:7473-8 (2010) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

C-C chemokine receptor type 2

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:

MEDNNMLPQFIHGILSTSHSLFTRSIQELDEGATTPYDYDDGEPCHKTSVKQIGAWILPP
LYSLVFIFGFVGNMLVIIILIGCKKLKSMTDIYLLNLAISDLLFLLTLPFWAHYAANEWV
FGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVITSVVTWVV
AVFASLPGIIFTKSKQDDHHYTCGPYFTQLWKNFQTIMRNILSLILPLLVMVICYSGILH
TLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLFLTTFQESLGMSNCVIDKHLDQAM
QVTETLGMTHCCINPVIYAFVGEKFRRYLSIFFRKHIAKRLCKQCPVFYRETADRVSSTF
TPSTGEQEVSVGL

BDBM50331723

n/a

Name

BDBM50331723

Synonyms:

CHEMBL1290637 | N-(2-oxo-2-((3S,4S)-1-(cis-4-phenylcyclohexyl)-4-propoxypyrrolidin-3-ylamino)ethyl)-3-(trifluoromethyl)benzamide

Type

Small organic molecule

Emp. Form.

C29H36F3N3O3

Mol. Mass.

531.6096

SMILES

CCCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:4.3,26.27,29.34,wD:8.9,(2.69,-29.05,;2.84,-27.52,;1.59,-26.62,;1.75,-25.09,;.5,-24.19,;-.97,-24.67,;-1.87,-23.42,;-.97,-22.17,;.49,-22.65,;1.82,-21.88,;3.15,-22.65,;3.16,-24.19,;4.49,-21.88,;5.82,-22.65,;7.16,-21.88,;7.16,-20.34,;8.49,-22.65,;9.81,-21.88,;11.15,-22.65,;11.16,-24.2,;9.82,-24.96,;8.49,-24.2,;9.82,-26.5,;8.49,-27.28,;11.15,-27.28,;9.8,-28.04,;-3.41,-23.42,;-4.18,-24.76,;-5.72,-24.76,;-6.49,-23.42,;-5.72,-22.09,;-4.19,-22.09,;-8.02,-23.42,;-8.79,-22.08,;-10.33,-22.07,;-11.1,-23.41,;-10.33,-24.75,;-8.8,-24.75,)|

Structure