Ki Summary

Reaction Details

Report a problem with these data

Target

C-C chemokine receptor type 2

Ligand

BDBM50337619

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_750500 (CHEMBL1786261)

IC50

3.2±n/a nM

Citation

Hughes, RO; Rogier, DJ; Devraj, R; Zheng, C; Cao, G; Feng, H; Xia, M; Anand, R; Xing, L; Glenn, J; Zhang, K; Covington, M; Morton, PA; Hutzler, JM; Davis, JW; Scherle, P; Baribaud, F; Bahinski, A; Mo, ZL; Newton, R; Metcalf, B; Xue, CB Discovery of ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(5-(trifluoromethyl)pyridazin-3-yl)piperazin-1-yl)methanone, PF-4254196, a CCR2 antagonist with an improved cardiovascular profile. Bioorg Med Chem Lett21:2626-30 (2011) [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:

Type:

Enzyme

Mol. Mass.:

41932.32

Organism:

Homo sapiens (Human)

Description:

P41597

Residue:

374

Sequence:

MLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGN
MLVVLILINCKKLKCLTDIYLLNLAISDLLFLITLPLWAHSAANEWVFGNAMCKLFTGLY
HIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIFTK
CQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNEKKRHR
AVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCI
NPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSI
GRAPEASLQDKEGA

BDBM50337619

n/a

Name

BDBM50337619

Synonyms:

((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone | ((3S,4S)-N-[(1R,3S)-3-isopropyl-3-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}carbonyl)cyclopentyl]-3-methoxytetrahydro-2H-pyran-4-amine | CHEMBL1683074

Type

Small organic molecule

Emp. Form.

C25H37F3N4O3

Mol. Mass.

498.5815

SMILES

CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|

Structure