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Compile Data Set for Download or QSAR

Found 316 hits Enz. Inhib. hit(s) with Target = 'Chemokine receptor type 1 (CXCR1)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211458
PNG
((R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)propy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)C(C)C
Show InChI InChI=1S/C23H27N3O5/c1-6-15(17-10-13(11-31-17)12(2)3)24-18-19(22(29)21(18)28)25-16-9-7-8-14(20(16)27)23(30)26(4)5/h7-12,15,24-25,27H,6H2,1-5H3/t15-/m1/s1
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3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248336
PNG
(3-(2-((1S,2S)-2-fluoro-1-(4-methylfuran-2-yl)propy...)
Show SMILES C[C@H](F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)co1
Show InChI InChI=1S/C21H22FN3O5/c1-10-8-14(30-9-10)15(11(2)22)24-17-16(19(27)20(17)28)23-13-7-5-6-12(18(13)26)21(29)25(3)4/h5-9,11,15,23-24,26H,1-4H3/t11-,15+/m0/s1
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248400
PNG
((S)-3-(2-(2,2-difluoro-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C21H21F2N3O5/c1-10-8-9-13(31-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/m0/s1
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248279
PNG
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(furan-2-yl)...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccco3)C(F)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C19H16F3N3O5/c1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11/h3-8,17,23-24,26H,1-2H3/t17-/m0/s1
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248401
PNG
((S)-3-(2-(2,2-difluoro-1-(4-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(C)co3)C(C)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C21H21F2N3O5/c1-10-8-13(31-9-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/m0/s1
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211454
PNG
((R)-3-(2-(1-(4-ethylfuran-2-yl)propylamino)-3,4-di...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(CC)co1
Show InChI InChI=1S/C22H25N3O5/c1-5-12-10-16(30-11-12)14(6-2)23-17-18(21(28)20(17)27)24-15-9-7-8-13(19(15)26)22(29)25(3)4/h7-11,14,23-24,26H,5-6H2,1-4H3/t14-/m1/s1
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7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248084
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1ccc(c(C(=O)N(C)C)c1O)C(F)(F)F)c1ccc(C)o1
Show InChI InChI=1S/C20H22F3N5O3S/c1-5-12(14-9-6-10(2)31-14)24-17-18(27-32-26-17)25-13-8-7-11(20(21,22)23)15(16(13)29)19(30)28(3)4/h6-9,12,29H,5H2,1-4H3,(H,24,26)(H,25,27)/t12-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211457
PNG
(3-(2-((R)-1-(4-sec-butylfuran-2-yl)propylamino)-3,...)
Show SMILES CCC(C)c1coc(c1)[C@@H](CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C24H29N3O5/c1-6-13(3)14-11-18(32-12-14)16(7-2)25-19-20(23(30)22(19)29)26-17-10-8-9-15(21(17)28)24(31)27(4)5/h8-13,16,25-26,28H,6-7H2,1-5H3/t13?,16-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248545
PNG
((S)-3-(2-(1-(benzo[d][1,3]dioxol-5-yl)-2,2,2-trifl...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc4OCOc4c3)C(F)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H18F3N3O6/c1-28(2)21(32)11-4-3-5-12(17(11)29)26-15-16(19(31)18(15)30)27-20(22(23,24)25)10-6-7-13-14(8-10)34-9-33-13/h3-8,20,26-27,29H,9H2,1-2H3/t20-/m0/s1
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248280
PNG
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(5-methylfur...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(F)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C20H18F3N3O5/c1-9-7-8-12(31-9)18(20(21,22)23)25-14-13(16(28)17(14)29)24-11-6-4-5-10(15(11)27)19(30)26(2)3/h4-8,18,24-25,27H,1-3H3/t18-/m0/s1
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9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211464
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(4-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)co1
Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-9-11(2)10-29-15)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
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9n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211462
PNG
((R)-3-(2-(cyclopropyl(4-isopropylfuran-2-yl)methyl...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C1CC1
Show InChI InChI=1S/C24H27N3O5/c1-12(2)14-10-17(32-11-14)18(13-8-9-13)26-20-19(22(29)23(20)30)25-16-7-5-6-15(21(16)28)24(31)27(3)4/h5-7,10-13,18,25-26,28H,8-9H2,1-4H3/t18-/m1/s1
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10n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211455
PNG
((R)-3-(2-(1-(4-tert-butylfuran-2-yl)propylamino)-3...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)C(C)(C)C
Show InChI InChI=1S/C24H29N3O5/c1-7-15(17-11-13(12-32-17)24(2,3)4)25-18-19(22(30)21(18)29)26-16-10-8-9-14(20(16)28)23(31)27(5)6/h8-12,15,25-26,28H,7H2,1-6H3/t15-/m1/s1
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10n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248456
PNG
((S)-3-(3,4-dioxo-2-(2,2,3,3,3-pentafluoro-1-(5-met...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(F)(F)C(F)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C21H18F5N3O5/c1-9-7-8-12(34-9)18(20(22,23)21(24,25)26)28-14-13(16(31)17(14)32)27-11-6-4-5-10(15(11)30)19(33)29(2)3/h4-8,18,27-28,30H,1-3H3/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211452
PNG
((R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)-2-me...)
Show SMILES CC(C)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)C(C)C
Show InChI InChI=1S/C24H29N3O5/c1-12(2)14-10-17(32-11-14)18(13(3)4)26-20-19(22(29)23(20)30)25-16-9-7-8-15(21(16)28)24(31)27(5)6/h7-13,18,25-26,28H,1-6H3/t18-/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248113
PNG
((R)-N-(2-cyanoethyl)-3-(4-(2,2-dimethyl-1-(5-methy...)
Show SMILES CN(CCC#N)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O
Show InChI InChI=1S/C23H28N6O3S/c1-14-10-11-17(32-14)19(23(2,3)4)26-21-20(27-33-28-21)25-16-9-6-8-15(18(16)30)22(31)29(5)13-7-12-24/h6,8-11,19,30H,7,13H2,1-5H3,(H,25,27)(H,26,28)/t19-/m0/s1
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50247950
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1
Show InChI InChI=1S/C19H23N5O3S/c1-5-13(15-10-9-11(2)27-15)20-17-18(23-28-22-17)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
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211461
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(4-(4-morpholin...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(CCCCN2CCOCC2)co1
Show InChI InChI=1S/C28H36N4O6/c1-4-20(22-16-18(17-38-22)8-5-6-11-32-12-14-37-15-13-32)29-23-24(27(35)26(23)34)30-21-10-7-9-19(25(21)33)28(36)31(2)3/h7,9-10,16-17,20,29-30,33H,4-6,8,11-15H2,1-3H3/t20-/m1/s1
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14n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248038
PNG
((R)-3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O
Show InChI InChI=1S/C21H27N5O3S/c1-12-10-11-15(29-12)17(21(2,3)4)23-19-18(24-30-25-19)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-/m0/s1
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211448
PNG
((R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)-2,2-...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(C)C
Show InChI InChI=1S/C25H31N3O5/c1-13(2)14-11-17(33-12-14)23(25(3,4)5)27-19-18(21(30)22(19)31)26-16-10-8-9-15(20(16)29)24(32)28(6)7/h8-13,23,26-27,29H,1-7H3/t23-/m0/s1
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14n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248115
PNG
((R)-N-(2-cyanoethyl)-3-(4-(1-(furan-2-yl)-2,2-dime...)
Show SMILES CN(CCC#N)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccco2)C(C)(C)C)c1O
Show InChI InChI=1S/C22H26N6O3S/c1-22(2,3)18(16-10-6-13-31-16)25-20-19(26-32-27-20)24-15-9-5-8-14(17(15)29)21(30)28(4)12-7-11-23/h5-6,8-10,13,18,29H,7,12H2,1-4H3,(H,24,26)(H,25,27)/t18-/m0/s1
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248082
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(2-methyl-1-(5-met...)
Show SMILES CC(C)[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)s1
Show InChI InChI=1S/C20H25N5O2S2/c1-11(2)16(15-10-9-12(3)28-15)22-19-18(23-29-24-19)21-14-8-6-7-13(17(14)26)20(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m1/s1
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248039
PNG
((R)-3-(4-(1-(furan-2-yl)-2,2-dimethylpropylamino)-...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccco2)C(C)(C)C)c1O
Show InChI InChI=1S/C20H25N5O3S/c1-20(2,3)16(14-10-7-11-28-14)22-18-17(23-29-24-18)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
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248037
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(2-methyl-1-(5-met...)
Show SMILES CC(C)[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1
Show InChI InChI=1S/C20H25N5O3S/c1-11(2)16(15-10-9-12(3)28-15)22-19-18(23-29-24-19)21-14-8-6-7-13(17(14)26)20(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m1/s1
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211463
PNG
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(4-isopropyl...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O5/c1-10(2)11-8-14(33-9-11)20(22(23,24)25)27-16-15(18(30)19(16)31)26-13-7-5-6-12(17(13)29)21(32)28(3)4/h5-10,20,26-27,29H,1-4H3/t20-/m0/s1
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16n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248591
PNG
((R)-3-(4-(cyclopropyl(phenyl)methylamino)-1,2,5-th...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@H](C2CC2)c2ccccc2)c1O
Show InChI InChI=1S/C21H23N5O2S/c1-26(2)21(28)15-9-6-10-16(18(15)27)22-19-20(25-29-24-19)23-17(14-11-12-14)13-7-4-3-5-8-13/h3-10,14,17,27H,11-12H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248335
PNG
(3-(2-((1S,2S)-2-fluoro-1-(5-methylfuran-2-yl)propy...)
Show SMILES C[C@H](F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C21H22FN3O5/c1-10-8-9-14(30-10)15(11(2)22)24-17-16(19(27)20(17)28)23-13-7-5-6-12(18(13)26)21(29)25(3)4/h5-9,11,15,23-24,26H,1-4H3/t11-,15+/m0/s1
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248083
PNG
((R)-(3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)prop...)
Show SMILES Cc1ccc(o1)[C@H](Nc1nsnc1Nc1cccc(C(=O)N2CCOCC2)c1O)C(C)(C)C
Show InChI InChI=1S/C23H29N5O4S/c1-14-8-9-17(32-14)19(23(2,3)4)25-21-20(26-33-27-21)24-16-7-5-6-15(18(16)29)22(30)28-10-12-31-13-11-28/h5-9,19,29H,10-13H2,1-4H3,(H,24,26)(H,25,27)/t19-/m0/s1
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18n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200880
PNG
((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
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
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18n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248502
PNG
((S)-3-(2-(1-(4-chlorofuran-2-yl)-2,2,2-trifluoroet...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(Cl)co3)C(F)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C19H15ClF3N3O5/c1-26(2)18(30)9-4-3-5-10(14(9)27)24-12-13(16(29)15(12)28)25-17(19(21,22)23)11-6-8(20)7-31-11/h3-7,17,24-25,27H,1-2H3/t17-/m0/s1
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200880
PNG
((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
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
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248590
PNG
((R)-3-(4-(1-(3,5-difluorophenyl)propylamino)-1,2,5...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H21F2N5O2S/c1-4-15(11-8-12(21)10-13(22)9-11)23-18-19(26-30-25-18)24-16-7-5-6-14(17(16)28)20(29)27(2)3/h5-10,15,28H,4H2,1-3H3,(H,23,25)(H,24,26)/t15-/m1/s1
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248547
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-phenylpropylami...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1
Show InChI InChI=1S/C20H23N5O2S/c1-4-15(13-9-6-5-7-10-13)21-18-19(24-28-23-18)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-/m1/s1
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21n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50297737
PNG
((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
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
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21n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of human [125I]IL-8 from human CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227000
PNG
(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
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21n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248453
PNG
((S)-3-(2-(2,2-difluoro-1-(5-methylfuran-2-yl)butyl...)
Show SMILES CCC(F)(F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C22H23F2N3O5/c1-5-22(23,24)20(14-10-9-11(2)32-14)26-16-15(18(29)19(16)30)25-13-8-6-7-12(17(13)28)21(31)27(3)4/h6-10,20,25-26,28H,5H2,1-4H3/t20-/m0/s1
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248455
PNG
((S)-3-(2-(2-fluoro-2-methyl-1-(5-methylfuran-2-yl)...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(C)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H24FN3O5/c1-11-9-10-14(31-11)20(22(2,3)23)25-16-15(18(28)19(16)29)24-13-8-6-7-12(17(13)27)21(30)26(4)5/h6-10,20,24-25,27H,1-5H3/t20-/m0/s1
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24n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211451
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(4-methylthioph...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)cs1
Show InChI InChI=1S/C21H23N3O4S/c1-5-13(15-9-11(2)10-29-15)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
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24n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248403
PNG
((S)-3-(2-(2,2-difluoro-1-(4-isopropylfuran-2-yl)pr...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(F)F
Show InChI InChI=1S/C23H25F2N3O5/c1-11(2)12-9-15(33-10-12)21(23(3,24)25)27-17-16(19(30)20(17)31)26-14-8-6-7-13(18(14)29)22(32)28(4)5/h6-11,21,26-27,29H,1-5H3/t21-/m0/s1
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25n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50297738
PNG
((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
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
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30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of human [125I]IL-8 from human CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248402
PNG
((S)-3-(2-(2,2-difluoro-1-(3-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3occc3C)C(C)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C21H21F2N3O5/c1-10-8-9-31-18(10)19(21(2,22)23)25-14-13(16(28)17(14)29)24-12-7-5-6-11(15(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/m0/s1
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30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211449
PNG
((R)-3-(3,4-dioxo-2-(1-(4-(pentan-3-yl)furan-2-yl)p...)
Show SMILES CCC(CC)c1coc(c1)[C@@H](CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C25H31N3O5/c1-6-14(7-2)15-12-19(33-13-15)17(8-3)26-20-21(24(31)23(20)30)27-18-11-9-10-16(22(18)29)25(32)28(4)5/h9-14,17,26-27,29H,6-8H2,1-5H3/t17-/m1/s1
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30n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248500
PNG
((S)-3-(2-(1-(5-chlorofuran-2-yl)-2,2,2-trifluoroet...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(Cl)o3)C(F)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C19H15ClF3N3O5/c1-26(2)18(30)8-4-3-5-9(14(8)27)24-12-13(16(29)15(12)28)25-17(19(21,22)23)10-6-7-11(20)31-10/h3-7,17,24-25,27H,1-2H3/t17-/m0/s1
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34n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248114
PNG
((R)-N-(2-cyanoethyl)-2-hydroxy-3-(4-(1-(4-isopropy...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)CCC#N)c1O)C(C)(C)C
Show InChI InChI=1S/C25H32N6O3S/c1-15(2)16-13-19(34-14-16)21(25(3,4)5)28-23-22(29-35-30-23)27-18-10-7-9-17(20(18)32)24(33)31(6)12-8-11-26/h7,9-10,13-15,21,32H,8,12H2,1-6H3,(H,27,29)(H,28,30)/t21-/m0/s1
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34n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211453
PNG
((R)-3-(2-(1-(4-butylfuran-2-yl)propylamino)-3,4-di...)
Show SMILES CCCCc1coc(c1)[C@@H](CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C24H29N3O5/c1-5-7-9-14-12-18(32-13-14)16(6-2)25-19-20(23(30)22(19)29)26-17-11-8-10-15(21(17)28)24(31)27(3)4/h8,10-13,16,25-26,28H,5-7,9H2,1-4H3/t16-/m1/s1
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34n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50247972
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(4-methylfuran-...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)co1
Show InChI InChI=1S/C19H23N5O3S/c1-5-13(15-9-11(2)10-27-15)20-17-18(23-28-22-17)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
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35n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248589
PNG
(2-hydroxy-N,N-dimethyl-3-(4-(2,2,2-trifluoro-1-phe...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2NC(c2ccccc2)C(F)(F)F)c1O
Show InChI InChI=1S/C19H18F3N5O2S/c1-27(2)18(29)12-9-6-10-13(14(12)28)23-16-17(26-30-25-16)24-15(19(20,21)22)11-7-4-3-5-8-11/h3-10,15,28H,1-2H3,(H,23,25)(H,24,26)
PDB

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36n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227001
PNG
(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
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38n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248112
PNG
((R)-3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1c(O)c(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)ccc1C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O3S/c1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6/h7-10,17,31H,1-6H3,(H,26,28)(H,27,29)/t17-/m0/s1
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38n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248544
PNG
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-phenylethyla...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccccc3)C(F)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1S/C21H18F3N3O4/c1-27(2)20(31)12-9-6-10-13(16(12)28)25-14-15(18(30)17(14)29)26-19(21(22,23)24)11-7-4-3-5-8-11/h3-10,19,25-26,28H,1-2H3/t19-/m0/s1
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40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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