Found 349 hits with Last Name = 'ferreira' and Initial = 'j' 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 |
|---|
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM210930
(UCP1173)Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM210931
(UCP1175)Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50536185
(CHEMBL4588910 | US10870625, Compound 57)Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(ccc1OC)-c1ccncc1 |r| Show InChI InChI=1S/C22H23N5O/c1-4-19-17(21(23)27-22(24)26-19)7-5-14(2)18-13-16(6-8-20(18)28-3)15-9-11-25-12-10-15/h6,8-14H,4H2,1-3H3,(H4,23,24,26,27)/t14-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM210927
(UCP1039)Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O2/c1-4-18-16(21(23)27-22(24)26-18)7-5-6-14-12-17(15-8-10-25-11-9-15)20(29-3)19(13-14)28-2/h8-13H,4,6H2,1-3H3,(H4,23,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM210929
(UCP1172)Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50536188
(CHEMBL4532935)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccncc1 Show InChI InChI=1S/C22H21N5O2/c1-3-18-16(21(23)27-22(24)26-18)5-4-13(2)15-10-17(14-6-8-25-9-7-14)20-19(11-15)28-12-29-20/h6-11,13H,3,12H2,1-2H3,(H4,23,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50536186
(CHEMBL4483572)Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccncc1 |r| Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27)/t14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50429697
(CHEMBL2335419)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297764
((R)-5-cyano-3-(3,4-dioxo-2-(1-phenylpropylamino)cy...)Show SMILES CC[C@@H](Nc1c(Nc2cc(cc(C(=O)N(C)C)c2O)C#N)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C23H22N4O4/c1-4-16(14-8-6-5-7-9-14)25-18-19(22(30)21(18)29)26-17-11-13(12-24)10-15(20(17)28)23(31)27(2)3/h5-11,16,25-26,28H,4H2,1-3H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297761
((R)-6-bromo-3-(3,4-dioxo-2-(1-phenylpropylamino)cy...)Show SMILES CC[C@@H](Nc1c(Nc2ccc(Br)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C22H22BrN3O4/c1-4-14(12-8-6-5-7-9-12)24-17-18(21(29)20(17)28)25-15-11-10-13(23)16(19(15)27)22(30)26(2)3/h5-11,14,24-25,27H,4H2,1-3H3/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50236053
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C22H23N3O4/c1-4-15(13-9-6-5-7-10-13)23-17-18(21(28)20(17)27)24-16-12-8-11-14(19(16)26)22(29)25(2)3/h5-12,15,23-24,26H,4H2,1-3H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297740
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2c(C)ccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O4/c1-5-16(14-9-7-6-8-10-14)24-18-19(22(29)21(18)28)25-17-13(2)11-12-15(20(17)27)23(30)26(3)4/h6-12,16,24-25,27H,5H2,1-4H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50536187
(CHEMBL3527091)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(ccc1OC)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-4-19-17(21(23)27-22(24)26-19)7-5-14(2)18-13-16(6-8-20(18)28-3)15-9-11-25-12-10-15/h6,8-14H,4H2,1-3H3,(H4,23,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50190621
(CHEMBL3827532 | US10870625, Compound 15)Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H22N4O3/c1-3-19-18(21(24)27-23(25)26-19)6-4-5-17-13-16(11-12-20(17)30-2)14-7-9-15(10-8-14)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50200880
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297741
((R)-5-cyano-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propy...)Show SMILES CC[C@@H](Nc1c(Nc2cc(cc(C(=O)N(C)C)c2O)C#N)c(=O)c1=O)c1cccs1 |r| Show InChI InChI=1S/C21H20N4O4S/c1-4-13(15-6-5-7-30-15)23-16-17(20(28)19(16)27)24-14-9-11(10-22)8-12(18(14)26)21(29)25(2)3/h5-9,13,23-24,26H,4H2,1-3H3/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297738
((R)-1-(3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobu...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCCC3C(O)=O)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C25H25N3O6/c1-2-16(14-8-4-3-5-9-14)26-19-20(23(31)22(19)30)27-17-11-6-10-15(21(17)29)24(32)28-13-7-12-18(28)25(33)34/h3-6,8-11,16,18,26-27,29H,2,7,12-13H2,1H3,(H,33,34)/t16-,18?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50200887
((R)-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)c...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 |r| Show InChI InChI=1S/C20H21N3O4S/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50536190
(CHEMBL4483336 | US10870625, Compound 55)Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc2OCOc2c(c1)-c1ccncc1 |r| Show InChI InChI=1S/C22H21N5O2/c1-3-18-16(21(23)27-22(24)26-18)5-4-13(2)15-10-17(14-6-8-25-9-7-14)20-19(11-15)28-12-29-20/h6-11,13H,3,12H2,1-2H3,(H4,23,24,26,27)/t13-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50536189
(CHEMBL3828772)Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(ccc1OC)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C24H24N4O3/c1-4-20-18(22(25)28-24(26)27-20)11-5-14(2)19-13-17(10-12-21(19)31-3)15-6-8-16(9-7-15)23(29)30/h6-10,12-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688
BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297755
((R)-3-(2-hydroxy-3-(pyrrolidine-1-carbonyl)phenyla...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCCC3)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O4/c1-2-17(15-9-4-3-5-10-15)25-19-20(23(30)22(19)29)26-18-12-8-11-16(21(18)28)24(31)27-13-6-7-14-27/h3-5,8-12,17,25-26,28H,2,6-7,13-14H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297756
((R)-3-(2-hydroxy-3-(morpholine-4-carbonyl)phenylam...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCOCC3)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O5/c1-2-17(15-7-4-3-5-8-15)25-19-20(23(30)22(19)29)26-18-10-6-9-16(21(18)28)24(31)27-11-13-32-14-12-27/h3-10,17,25-26,28H,2,11-14H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297735
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C24H27N3O4/c1-5-17(15-10-7-6-8-11-15)25-19-20(23(30)22(19)29)26-18-13-9-12-16(21(18)28)24(31)27(4)14(2)3/h6-14,17,25-26,28H,5H2,1-4H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297745
((R)-2-hydroxy-3-(2-(1-(5-methylfuran-2-yl)propylam...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(O)=O)c2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C19H18N2O6/c1-3-11(13-8-7-9(2)27-13)20-14-15(18(24)17(14)23)21-12-6-4-5-10(16(12)22)19(25)26/h4-8,11,20-22H,3H2,1-2H3,(H,25,26)/t11-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297736
((R)-3-(2-hydroxy-3-(4-methylpiperazine-1-carbonyl)...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C)CC3)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O4/c1-3-18(16-8-5-4-6-9-16)26-20-21(24(32)23(20)31)27-19-11-7-10-17(22(19)30)25(33)29-14-12-28(2)13-15-29/h4-11,18,26-27,30H,3,12-15H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297739
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2ccc(-c3ccccn3)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C27H26N4O4/c1-4-18(16-10-6-5-7-11-16)29-22-23(26(34)25(22)33)30-20-14-13-17(19-12-8-9-15-28-19)21(24(20)32)27(35)31(2)3/h5-15,18,29-30,32H,4H2,1-3H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297763
((R)-4-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2ccc(-c3ccccc3)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C28H27N3O4/c1-4-20(18-13-9-6-10-14-18)29-23-24(27(34)26(23)33)30-21-16-15-19(17-11-7-5-8-12-17)22(25(21)32)28(35)31(2)3/h5-16,20,29-30,32H,4H2,1-3H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297737
((R)-3-(2-hydroxy-3-((S)-3-hydroxypyrrolidine-1-car...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CC[C@H](O)C3)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O5/c1-2-17(14-7-4-3-5-8-14)25-19-20(23(31)22(19)30)26-18-10-6-9-16(21(18)29)24(32)27-12-11-15(28)13-27/h3-10,15,17,25-26,28-29H,2,11-13H2,1H3/t15-,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297760
((R)-3-(2-hydroxy-3-(4-picolinoylpiperazine-1-carbo...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccccn3)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C30H29N5O5/c1-2-21(19-9-4-3-5-10-19)32-24-25(28(38)27(24)37)33-22-13-8-11-20(26(22)36)29(39)34-15-17-35(18-16-34)30(40)23-12-6-7-14-31-23/h3-14,21,32-33,36H,2,15-18H2,1H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297757
((R)-3-(2-hydroxy-3-(3-hydroxyazetidine-1-carbonyl)...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CC(O)C3)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C23H23N3O5/c1-2-16(13-7-4-3-5-8-13)24-18-19(22(30)21(18)29)25-17-10-6-9-15(20(17)28)23(31)26-11-14(27)12-26/h3-10,14,16,24-25,27-28H,2,11-12H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297758
((R)-3-(2-hydroxy-3-((S)-3-(hydroxymethyl)pyrrolidi...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CC[C@H](CO)C3)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C25H27N3O5/c1-2-18(16-7-4-3-5-8-16)26-20-21(24(32)23(20)31)27-19-10-6-9-17(22(19)30)25(33)28-12-11-15(13-28)14-29/h3-10,15,18,26-27,29-30H,2,11-14H2,1H3/t15-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50297737
((R)-3-(2-hydroxy-3-((S)-3-hydroxypyrrolidine-1-car...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CC[C@H](O)C3)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O5/c1-2-17(14-7-4-3-5-8-14)25-19-20(23(31)22(19)30)26-18-10-6-9-16(21(18)29)24(32)27-12-11-15(28)13-27/h3-10,15,17,25-26,28-29H,2,11-13H2,1H3/t15-,17+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR1 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297748
((R)-3-(2-hydroxyphenylamino)-4-(1-(5-methylfuran-2...)Show SMILES CC[C@@H](Nc1c(Nc2ccccc2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C18H18N2O4/c1-3-11(14-9-8-10(2)24-14)19-15-16(18(23)17(15)22)20-12-6-4-5-7-13(12)21/h4-9,11,19-21H,3H2,1-2H3/t11-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297746
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(N)=O)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O4/c1-2-13(11-7-4-3-5-8-11)22-15-16(19(26)18(15)25)23-14-10-6-9-12(17(14)24)20(21)27/h3-10,13,22-24H,2H2,1H3,(H2,21,27)/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297759
((R)-3-(3-(4-acetylpiperazine-1-carbonyl)-2-hydroxy...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(CC3)C(C)=O)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C26H28N4O5/c1-3-19(17-8-5-4-6-9-17)27-21-22(25(34)24(21)33)28-20-11-7-10-18(23(20)32)26(35)30-14-12-29(13-15-30)16(2)31/h4-11,19,27-28,32H,3,12-15H2,1-2H3/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297752
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)NC)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H21N3O4/c1-3-14(12-8-5-4-6-9-12)23-16-17(20(27)19(16)26)24-15-11-7-10-13(18(15)25)21(28)22-2/h4-11,14,23-25H,3H2,1-2H3,(H,22,28)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50297738
((R)-1-(3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobu...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCCC3C(O)=O)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C25H25N3O6/c1-2-16(14-8-4-3-5-9-14)26-19-20(23(31)22(19)30)27-17-11-6-10-15(21(17)29)24(32)28-13-7-12-18(28)25(33)34/h3-6,8-11,16,18,26-27,29H,2,7,12-13H2,1H3,(H,33,34)/t16-,18?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR1 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297754
((R)-N-cyclopropyl-3-(3,4-dioxo-2-(1-phenylpropylam...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)NC3CC3)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C23H23N3O4/c1-2-16(13-7-4-3-5-8-13)25-18-19(22(29)21(18)28)26-17-10-6-9-15(20(17)27)23(30)24-14-11-12-14/h3-10,14,16,25-27H,2,11-12H2,1H3,(H,24,30)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50236053
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C22H23N3O4/c1-4-15(13-9-6-5-7-10-13)23-17-18(21(28)20(17)27)24-16-12-8-11-14(19(16)26)22(29)25(2)3/h5-12,15,23-24,26H,4H2,1-3H3/t15-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR1 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50297736
((R)-3-(2-hydroxy-3-(4-methylpiperazine-1-carbonyl)...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C)CC3)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O4/c1-3-18(16-8-5-4-6-9-16)26-20-21(24(32)23(20)31)27-19-11-7-10-17(22(19)30)25(33)29-14-12-28(2)13-15-29/h4-11,18,26-27,30H,3,12-15H2,1-2H3/t18-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR1 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297742
((R)-5-chloro-3-(3,4-dioxo-2-(1-(thiophen-2-yl)prop...)Show SMILES CC[C@@H](Nc1c(Nc2cc(Cl)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 |r| Show InChI InChI=1S/C20H20ClN3O4S/c1-4-12(14-6-5-7-29-14)22-15-16(19(27)18(15)26)23-13-9-10(21)8-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50297741
((R)-5-cyano-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propy...)Show SMILES CC[C@@H](Nc1c(Nc2cc(cc(C(=O)N(C)C)c2O)C#N)c(=O)c1=O)c1cccs1 |r| Show InChI InChI=1S/C21H20N4O4S/c1-4-13(15-6-5-7-30-15)23-16-17(20(28)19(16)27)24-14-9-11(10-22)8-12(18(14)26)21(29)25(2)3/h5-9,13,23-24,26H,4H2,1-3H3/t13-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR1 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297743
((R)-5-bromo-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propy...)Show SMILES CC[C@@H](Nc1c(Nc2cc(Br)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 |r| Show InChI InChI=1S/C20H20BrN3O4S/c1-4-12(14-6-5-7-29-14)22-15-16(19(27)18(15)26)23-13-9-10(21)8-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297744
((R)-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)c...)Show SMILES CC[C@@H](Nc1c(Nc2cc(C)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 |r| Show InChI InChI=1S/C21H23N3O4S/c1-5-13(15-7-6-8-29-15)22-16-17(20(27)19(16)26)23-14-10-11(2)9-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50297735
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C24H27N3O4/c1-5-17(15-10-7-6-8-11-15)25-19-20(23(30)22(19)29)26-18-13-9-12-16(21(18)28)24(31)27(4)14(2)3/h6-14,17,25-26,28H,5H2,1-4H3/t17-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR1 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297762
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2cc(C)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O4/c1-5-16(14-9-7-6-8-10-14)24-18-19(22(29)21(18)28)25-17-12-13(2)11-15(20(17)27)23(30)26(3)4/h6-12,16,24-25,27H,5H2,1-4H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50200887
((R)-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)c...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 |r| Show InChI InChI=1S/C20H21N3O4S/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3/t12-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR1 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297753
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)NC(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O4/c1-4-16(14-9-6-5-7-10-14)25-18-19(22(29)21(18)28)26-17-12-8-11-15(20(17)27)23(30)24-13(2)3/h5-13,16,25-27H,4H2,1-3H3,(H,24,30)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50297749
((R)-2-hydroxy-N,N-dimethyl-3-(methyl(2-(methyl(1-p...)Show SMILES CC[C@@H](N(C)c1c(N(C)c2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C24H27N3O4/c1-6-17(15-11-8-7-9-12-15)26(4)19-20(23(30)22(19)29)27(5)18-14-10-13-16(21(18)28)24(31)25(2)3/h7-14,17,28H,6H2,1-5H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of human [125I]IL-8 from human CXCR2 |
Bioorg Med Chem Lett 19: 4446-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X |
More data for this
Ligand-Target Pair | |
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