Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50021706 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)) | BDBM50227000
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C(C)(C)C)c1O Show InChI InChI=1S/C20H25N5O4S/c1-20(2,3)16(14-10-7-11-29-14)22-18-17(23-30(28)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | 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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227005
(3-{4-[(R)-1-(4,5-dimethyl-furan-2-yl)-2-methyl-pro...)Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)c(C)o1 Show InChI InChI=1S/C21H27N5O4S/c1-11(2)17(16-10-12(3)13(4)30-16)23-20-19(24-31(29)25-20)22-15-9-7-8-14(18(15)27)21(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | 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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50226999
(2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(5-methyl-furan...)Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 Show InChI InChI=1S/C19H23N5O4S/c1-5-13(15-10-9-11(2)28-15)20-17-18(23-29(27)22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-,29?/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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50226995
(3-[4-((R)-2,2-dimethyl-1-phenyl-propylamino)-1-oxo...)Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccccc2)C(C)(C)C)c1O Show InChI InChI=1S/C22H27N5O3S/c1-22(2,3)18(14-10-7-6-8-11-14)24-20-19(25-31(30)26-20)23-16-13-9-12-15(17(16)28)21(29)27(4)5/h6-13,18,28H,1-5H3,(H,23,25)(H,24,26)/t18-,31?/m0/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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227003
(3-[4-((R)-1-benzo[1,3]dioxol-5-yl-2,2-dimethyl-pro...)Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O |w:10.9,c:16| Show InChI InChI=1S/C23H27N5O6S/c1-23(2,3)19(13-9-10-16-17(11-13)34-12-33-16)25-21-20(26-35(31,32)27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.70 | 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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50226996
(2-hydroxy-N,N-dimethyl-3-[1-oxo-4-((R)-1-phenyl-pr...)Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1 Show InChI InChI=1S/C20H23N5O3S/c1-4-15(13-9-6-5-7-10-13)21-18-19(24-29(28)23-18)22-16-12-8-11-14(17(16)26)20(27)25(2)3/h5-12,15,26H,4H2,1-3H3,(H,21,23)(H,22,24)/t15-,29?/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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227001
(3-{4-[(R)-2,2-dimethyl-1-(5-methyl-furan-2-yl)-pro...)Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O Show InChI InChI=1S/C21H27N5O4S/c1-12-10-11-15(30-12)17(21(2,3)4)23-19-18(24-31(29)25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m0/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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227010
(3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino...)Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1 Show InChI InChI=1S/C21H24FN5O3S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-31(30)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-,31?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | 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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227011
(3-{4-[(R)-1-(5-chloro-furan-2-yl)-2,2-dimethyl-pro...)Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc(Cl)o2)C(C)(C)C)c1O |w:10.9,c:16| Show InChI InChI=1S/C20H24ClN5O5S/c1-20(2,3)16(13-9-10-14(21)31-13)23-18-17(24-32(29,30)25-18)22-12-8-6-7-11(15(12)27)19(28)26(4)5/h6-10,16,27H,1-5H3,(H,22,24)(H,23,25)/t16-/m0/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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227013
(2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(4-methyl-3,4-d...)Show SMILES CC[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccc2N(C)CCOc2c1 |w:11.12,t:4| Show InChI InChI=1S/C23H28N6O5S/c1-5-16(14-9-10-18-19(13-14)34-12-11-29(18)4)24-21-22(27-35(32,33)26-21)25-17-8-6-7-15(20(17)30)23(31)28(2)3/h6-10,13,16,30H,5,11-12H2,1-4H3,(H,24,26)(H,25,27)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50226993
(2-hydroxy-3-{4-[(R)-1-(4-isopropyl-furan-2-yl)-pro...)Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(co1)C(C)C Show InChI InChI=1S/C21H27N5O4S/c1-6-15(17-10-13(11-30-17)12(2)3)22-19-20(25-31(29)24-19)23-16-9-7-8-14(18(16)27)21(28)26(4)5/h7-12,15,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t15-,31?/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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227006
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccco2)C(C)(C)C)c1O |w:10.9,c:16| Show InChI InChI=1S/C20H25N5O5S/c1-20(2,3)16(14-10-7-11-30-14)22-18-17(23-31(28,29)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50226997
(3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino...)Show SMILES CC(C)[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1 |w:12.13,t:5| Show InChI InChI=1S/C21H24FN5O4S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-32(30,31)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227009
(3-(4-{[(R)-furan-2-yl-(1-methyl-cyclopropyl)-methy...)Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C2(C)CC2)c1O Show InChI InChI=1S/C20H23N5O4S/c1-20(9-10-20)16(14-8-5-11-29-14)22-18-17(23-30(28)24-18)21-13-7-4-6-12(15(13)26)19(27)25(2)3/h4-8,11,16,26H,9-10H2,1-3H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227004
(3-{4-[(benzo[1,3]dioxol-5-ylmethyl)-amino]-1-oxo-1...)Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2NCc2ccc3OCOc3c2)c1O Show InChI InChI=1S/C19H19N5O5S/c1-24(2)19(26)12-4-3-5-13(16(12)25)21-18-17(22-30(27)23-18)20-9-11-6-7-14-15(8-11)29-10-28-14/h3-8,25H,9-10H2,1-2H3,(H,20,22)(H,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227002
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-butylamino)-1,...)Show SMILES CCC(C)(C)[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccco1 |w:14.15,t:7| Show InChI InChI=1S/C21H27N5O5S/c1-6-21(2,3)17(15-11-8-12-31-15)23-19-18(24-32(29,30)25-19)22-14-10-7-9-13(16(14)27)20(28)26(4)5/h7-12,17,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | 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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227000
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C(C)(C)C)c1O Show InChI InChI=1S/C20H25N5O4S/c1-20(2,3)16(14-10-7-11-29-14)22-18-17(23-30(28)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-,30?/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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227008
(3-{4-[(R)-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2,...)Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCCOc3c2)C(C)(C)C)c1O |w:10.9,c:16| Show InChI InChI=1S/C24H29N5O6S/c1-24(2,3)20(14-9-10-17-18(13-14)35-12-11-34-17)26-22-21(27-36(32,33)28-22)25-16-8-6-7-15(19(16)30)23(31)29(4)5/h6-10,13,20,30H,11-12H2,1-5H3,(H,25,27)(H,26,28)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | 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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227001
(3-{4-[(R)-2,2-dimethyl-1-(5-methyl-furan-2-yl)-pro...)Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O Show InChI InChI=1S/C21H27N5O4S/c1-12-10-11-15(30-12)17(21(2,3)4)23-19-18(24-31(29)25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 38 | 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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227003
(3-[4-((R)-1-benzo[1,3]dioxol-5-yl-2,2-dimethyl-pro...)Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O |w:10.9,c:16| Show InChI InChI=1S/C23H27N5O6S/c1-23(2,3)19(13-9-10-16-17(11-13)34-12-33-16)25-21-20(26-35(31,32)27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 46 | 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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227005
(3-{4-[(R)-1-(4,5-dimethyl-furan-2-yl)-2-methyl-pro...)Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)c(C)o1 Show InChI InChI=1S/C21H27N5O4S/c1-11(2)17(16-10-12(3)13(4)30-16)23-20-19(24-31(29)25-20)22-15-9-7-8-14(18(15)27)21(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50227007
(2-hydroxy-N,N-dimethyl-3-[1-oxo-4-((S)-1,2,2-trime...)Show SMILES C[C@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)C(C)(C)C Show InChI InChI=1S/C17H25N5O3S/c1-10(17(2,3)4)18-14-15(21-26(25)20-14)19-12-9-7-8-11(13(12)23)16(24)22(5)6/h7-10,23H,1-6H3,(H,18,20)(H,19,21)/t10-,26?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 58 | 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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50226993
(2-hydroxy-3-{4-[(R)-1-(4-isopropyl-furan-2-yl)-pro...)Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(co1)C(C)C Show InChI InChI=1S/C21H27N5O4S/c1-6-15(17-10-13(11-30-17)12(2)3)22-19-20(25-31(29)24-19)23-16-9-7-8-14(18(16)27)21(28)26(4)5/h7-12,15,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t15-,31?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227006
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccco2)C(C)(C)C)c1O |w:10.9,c:16| Show InChI InChI=1S/C20H25N5O5S/c1-20(2,3)16(14-10-7-11-30-14)22-18-17(23-31(28,29)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227011
(3-{4-[(R)-1-(5-chloro-furan-2-yl)-2,2-dimethyl-pro...)Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc(Cl)o2)C(C)(C)C)c1O |w:10.9,c:16| Show InChI InChI=1S/C20H24ClN5O5S/c1-20(2,3)16(13-9-10-14(21)31-13)23-18-17(24-32(29,30)25-18)22-12-8-6-7-11(15(12)27)19(28)26(4)5/h6-10,16,27H,1-5H3,(H,22,24)(H,23,25)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 129 | 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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50226995
(3-[4-((R)-2,2-dimethyl-1-phenyl-propylamino)-1-oxo...)Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccccc2)C(C)(C)C)c1O Show InChI InChI=1S/C22H27N5O3S/c1-22(2,3)18(14-10-7-6-8-11-14)24-20-19(25-31(30)26-20)23-16-13-9-12-15(17(16)28)21(29)27(4)5/h6-13,18,28H,1-5H3,(H,23,25)(H,24,26)/t18-,31?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 130 | 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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50226994
(2-hydroxy-N,N-dimethyl-3-(4-{[(R)-(1-methyl-cyclop...)Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc(C)o2)C2(C)CC2)c1O |w:10.9,c:16| Show InChI InChI=1S/C21H25N5O5S/c1-12-8-9-15(31-12)17(21(2)10-11-21)23-19-18(24-32(29,30)25-19)22-14-7-5-6-13(16(14)27)20(28)26(3)4/h5-9,17,27H,10-11H2,1-4H3,(H,22,24)(H,23,25)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 184 | 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
Binding affinity to CXCR2 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227002
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-butylamino)-1,...)Show SMILES CCC(C)(C)[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccco1 |w:14.15,t:7| Show InChI InChI=1S/C21H27N5O5S/c1-6-21(2,3)17(15-11-8-12-31-15)23-19-18(24-32(29,30)25-19)22-14-10-7-9-13(16(14)27)20(28)26(4)5/h7-12,17,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 188 | 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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50226999
(2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(5-methyl-furan...)Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 Show InChI InChI=1S/C19H23N5O4S/c1-5-13(15-10-9-11(2)28-15)20-17-18(23-29(27)22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-,29?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 234 | 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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227009
(3-(4-{[(R)-furan-2-yl-(1-methyl-cyclopropyl)-methy...)Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C2(C)CC2)c1O Show InChI InChI=1S/C20H23N5O4S/c1-20(9-10-20)16(14-8-5-11-29-14)22-18-17(23-30(28)24-18)21-13-7-4-6-12(15(13)26)19(27)25(2)3/h4-8,11,16,26H,9-10H2,1-3H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 375 | 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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227007
(2-hydroxy-N,N-dimethyl-3-[1-oxo-4-((S)-1,2,2-trime...)Show SMILES C[C@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)C(C)(C)C Show InChI InChI=1S/C17H25N5O3S/c1-10(17(2,3)4)18-14-15(21-26(25)20-14)19-12-9-7-8-11(13(12)23)16(24)22(5)6/h7-10,23H,1-6H3,(H,18,20)(H,19,21)/t10-,26?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 484 | 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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50226997
(3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino...)Show SMILES CC(C)[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1 |w:12.13,t:5| Show InChI InChI=1S/C21H24FN5O4S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-32(30,31)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 652 | 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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50226994
(2-hydroxy-N,N-dimethyl-3-(4-{[(R)-(1-methyl-cyclop...)Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc(C)o2)C2(C)CC2)c1O |w:10.9,c:16| Show InChI InChI=1S/C21H25N5O5S/c1-12-8-9-15(31-12)17(21(2)10-11-21)23-19-18(24-32(29,30)25-19)22-14-7-5-6-13(16(14)27)20(28)26(3)4/h5-9,17,27H,10-11H2,1-4H3,(H,22,24)(H,23,25)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10E+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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50226996
(2-hydroxy-N,N-dimethyl-3-[1-oxo-4-((R)-1-phenyl-pr...)Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1 Show InChI InChI=1S/C20H23N5O3S/c1-4-15(13-9-6-5-7-10-13)21-18-19(24-29(28)23-18)22-16-12-8-11-14(17(16)26)20(27)25(2)3/h5-12,15,26H,4H2,1-3H3,(H,21,23)(H,22,24)/t15-,29?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.22E+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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227008
(3-{4-[(R)-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2,...)Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCCOc3c2)C(C)(C)C)c1O |w:10.9,c:16| Show InChI InChI=1S/C24H29N5O6S/c1-24(2,3)20(14-9-10-17-18(13-14)35-12-11-34-17)26-22-21(27-36(32,33)28-22)25-16-8-6-7-15(19(16)30)23(31)29(4)5/h6-10,13,20,30H,11-12H2,1-5H3,(H,25,27)(H,26,28)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227013
(2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(4-methyl-3,4-d...)Show SMILES CC[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccc2N(C)CCOc2c1 |w:11.12,t:4| Show InChI InChI=1S/C23H28N6O5S/c1-5-16(14-9-10-18-19(13-14)34-12-11-29(18)4)24-21-22(27-35(32,33)26-21)25-17-8-6-7-15(20(17)30)23(31)28(2)3/h6-10,13,16,30H,5,11-12H2,1-4H3,(H,24,26)(H,25,27)/t16-/m1/s1 | PDB
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| 2.80E+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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227010
(3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino...)Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1 Show InChI InChI=1S/C21H24FN5O3S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-31(30)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-,31?/m1/s1 | PDB
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| 4.01E+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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227012
(2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(5-methyl-furan...)Show SMILES CC[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 |w:11.12,t:4| Show InChI InChI=1S/C19H23N5O5S/c1-5-13(15-10-9-11(2)29-15)20-17-18(23-30(27,28)22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-/m1/s1 | PDB
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| 5.95E+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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50226998
(3-[1,1-dioxo-4-((R)-1-phenyl-propylamino)-1H-1lamb...)Show SMILES CC[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1 |w:11.12,t:4| Show InChI InChI=1S/C20H23N5O4S/c1-4-15(13-9-6-5-7-10-13)21-18-19(24-30(28,29)23-18)22-16-12-8-11-14(17(16)26)20(27)25(2)3/h5-12,15,26H,4H2,1-3H3,(H,21,23)(H,22,24)/t15-/m1/s1 | PDB
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| 8.99E+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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50227004
(3-{4-[(benzo[1,3]dioxol-5-ylmethyl)-amino]-1-oxo-1...)Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2NCc2ccc3OCOc3c2)c1O Show InChI InChI=1S/C19H19N5O5S/c1-24(2)19(26)12-4-3-5-13(16(12)25)21-18-17(22-30(27)23-18)20-9-11-6-7-14-15(8-11)29-10-28-14/h3-8,25H,9-10H2,1-2H3,(H,20,22)(H,21,23) | PDB
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| 1.00E+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
Binding affinity to CXCR1 |
Bioorg Med Chem Lett 18: 228-31 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K |
More data for this
Ligand-Target Pair | |
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