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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50436281   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436281
PNG
(CHEMBL2398741)
Show SMILES CCC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C21H31ClN2O3/c1-6-17(25)23-18(14(2)3)19(26)24-12-11-21(27,20(4,5)13-24)15-7-9-16(22)10-8-15/h7-10,14,18,27H,6,11-13H2,1-5H3,(H,23,25)/t18-,21+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436281
PNG
(CHEMBL2398741)
Show SMILES CCC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C21H31ClN2O3/c1-6-17(25)23-18(14(2)3)19(26)24-12-11-21(27,20(4,5)13-24)15-7-9-16(22)10-8-15/h7-10,14,18,27H,6,11-13H2,1-5H3,(H,23,25)/t18-,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human CCR1


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair