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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50031558   
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))
BDBM50315305
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r|
Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1
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MCE
PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP1alpha from CCR1 receptor


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50315303
PNG
((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...)
Show SMILES C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 |r|
Show InChI InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m0/s1
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antibodypedia
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP1alpha from CCR1 receptor


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair