Found 6 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM100345
(US8501981, 73)Show SMILES CC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccc(F)c(Cl)c1)C(O)=O Show InChI InChI=1S/C23H21ClFNO5/c1-23(2,22(28)29)26-21(27)17-9-7-14-5-3-4-6-16(14)20(17)31-12-11-30-15-8-10-19(25)18(24)13-15/h3-10,13H,11-12H2,1-2H3,(H,26,27)(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR). |
US Patent US8501981 (2013)
BindingDB Entry DOI: 10.7270/Q24Q7SMB |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM100346
(US8501981, 105)Show SMILES OC(=O)C1(CCC1)NC(=O)c1ccc2ccccc2c1OCCOc1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO5/c25-17-7-9-18(10-8-17)30-14-15-31-21-19-5-2-1-4-16(19)6-11-20(21)22(27)26-24(23(28)29)12-3-13-24/h1-2,4-11H,3,12-15H2,(H,26,27)(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 3.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR). |
US Patent US8501981 (2013)
BindingDB Entry DOI: 10.7270/Q24Q7SMB |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM100347
(US8501981, 166)Show SMILES CC(C)(NC(=O)c1ccc2ccccc2c1C#CCCCc1ccccc1)C(O)=O Show InChI InChI=1S/C26H25NO3/c1-26(2,25(29)30)27-24(28)23-18-17-20-14-9-10-15-21(20)22(23)16-8-4-7-13-19-11-5-3-6-12-19/h3,5-6,9-12,14-15,17-18H,4,7,13H2,1-2H3,(H,27,28)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR). |
US Patent US8501981 (2013)
BindingDB Entry DOI: 10.7270/Q24Q7SMB |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM100343
(US8501981, 52)Show SMILES CC(CCc1ccccc1)Oc1c(ccc2ccccc12)C(=O)NC1(CCCC1)C(O)=O Show InChI InChI=1S/C27H29NO4/c1-19(13-14-20-9-3-2-4-10-20)32-24-22-12-6-5-11-21(22)15-16-23(24)25(29)28-27(26(30)31)17-7-8-18-27/h2-6,9-12,15-16,19H,7-8,13-14,17-18H2,1H3,(H,28,29)(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR). |
US Patent US8501981 (2013)
BindingDB Entry DOI: 10.7270/Q24Q7SMB |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM100344
(US8501981, 55)Show SMILES CC(C)CC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccccc1)C(O)=O Show InChI InChI=1S/C26H29NO5/c1-18(2)17-26(3,25(29)30)27-24(28)22-14-13-19-9-7-8-12-21(19)23(22)32-16-15-31-20-10-5-4-6-11-20/h4-14,18H,15-17H2,1-3H3,(H,27,28)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR). |
US Patent US8501981 (2013)
BindingDB Entry DOI: 10.7270/Q24Q7SMB |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM100342
(US8501981, 46)Show SMILES CC(C)(NC(=O)c1sc2ccccc2c1OCCOc1ccccc1)C(O)=O Show InChI InChI=1S/C21H21NO5S/c1-21(2,20(24)25)22-19(23)18-17(15-10-6-7-11-16(15)28-18)27-13-12-26-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR). |
US Patent US8501981 (2013)
BindingDB Entry DOI: 10.7270/Q24Q7SMB |
More data for this
Ligand-Target Pair | |
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