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Target
C-C motif chemokine 2
Ligand
BDBM14029
Substrate
n/a
Meas. Tech.
ChEMBL_700342 (CHEMBL1647668)
IC50
2630.27±n/a nM
Citation
 Ray, P; Wright, J; Adam, J; Bennett, J; Boucharens, S; Black, D; Cook, A; Brown, AR; Epemolu, O; Fletcher, D; Haunso, A; Huggett, M; Jones, P; Laats, S; Lyons, A; Mestres, J; de Man, J; Morphy, R; Rankovic, Z; Sherborne, B; Sherry, L; van Straten, N; Westwood, P; Zaman, GZ Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. Bioorg Med Chem Lett 21:97-101 (2010) [PubMed]  Article 
Target
Name:
C-C motif chemokine 2
Synonyms:
CCL2 | CCL2_HUMAN | HC11 | MCAF | MCP-1 | MCP1 | Monocyte chemoattractant protein 1 | Monocyte chemotactic and activating factor | Monocyte chemotactic protein 1 | Monocyte secretory protein JE | SCYA2 | Small-inducible cytokine A2
Type:
PROTEIN
Mol. Mass.:
11032.44
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1363188
Residue:
99
Sequence:
MKVSAALLCLLLIAATFIPQGLAQPDAINAPVTCCYNFTNRKISVQRLASYRRITSSKCPKEAVIFKTIVAKEICADPKQKWVQDSMDHLDKQTQTPKT
  
Inhibitor
Name:
BDBM14029
Synonyms:
(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE | 4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide | US10183931, Y-27632 | Y-27632
Type:
Small organic molecule
Emp. Form.:
C14H21N3O
Mol. Mass.:
247.336
SMILES:
[H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Structure:
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