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BDBM50144420 CHEMBL68145::Quinoxaline-2-carboxylic acid ((1S,2S)-1-benzyl-4-carbamoyl-4-cyclohexyl-2-hydroxy-butyl)-amide

SMILES: NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1

InChI Key: InChIKey=NDKYYSFPOCCESP-WAXYSGSMSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50144420   
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 1


(Homo sapiens (Human))
BDBM50144420
PNG
(CHEMBL68145 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1
Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20?,23-,25-/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144420
PNG
(CHEMBL68145 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1
Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20?,23-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair