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BDBM50249399 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-a]pyridin-2-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL475777

SMILES: OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cn3ccccc3n2)[C@H](C1)c1cccc(F)c1

InChI Key: InChIKey=ULFPSOIGAFYNHK-STJDXSHMNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50249399   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249399
PNG
((R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-(...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cn3ccccc3n2)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1/C30H37FN4O2/c31-25-8-4-7-23(16-25)26-19-35(28(30(36)37)15-21-5-3-6-21)18-24(26)17-33-13-10-22(11-14-33)27-20-34-12-2-1-9-29(34)32-27/h1-2,4,7-9,12,16,20-22,24,26,28H,3,5-6,10-11,13-15,17-19H2,(H,36,37)/t24-,26+,28+/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 15: 2129-34 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.030
BindingDB Entry DOI: 10.7270/Q21C1WD7
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249399
PNG
((R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-(...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cn3ccccc3n2)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1/C30H37FN4O2/c31-25-8-4-7-23(16-25)26-19-35(28(30(36)37)15-21-5-3-6-21)18-24(26)17-33-13-10-22(11-14-33)27-20-34-12-2-1-9-29(34)32-27/h1-2,4,7-9,12,16,20-22,24,26,28H,3,5-6,10-11,13-15,17-19H2,(H,36,37)/t24-,26+,28+/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair