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Compile Data Set for Download or QSAR

Found 1078 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' 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
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM113726
PNG
(US8633226, 850)
Show SMILES CC(C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
Show InChI InChI=1S/C22H34ClN3O3/c1-14(2)18(25-20(28)24-15(3)4)19(27)26-12-11-22(29,21(5,6)13-26)16-7-9-17(23)10-8-16/h7-10,14-15,18,29H,11-13H2,1-6H3,(H2,24,25,28)/t18-,22+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...


US Patent US8633226 (2014)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436284
PNG
(CHEMBL2398747 | US8633226, 460)
Show SMILES CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
Show InChI InChI=1S/C24H35ClN2O3/c1-16(2)20(26-21(28)17-7-5-6-8-17)22(29)27-14-13-24(30,23(3,4)15-27)18-9-11-19(25)12-10-18/h9-12,16-17,20,30H,5-8,13-15H2,1-4H3,(H,26,28)/t20-,24+/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...


US Patent US8633226 (2014)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50208999
PNG
((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O
Show InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1
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1n/an/an/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CCR1


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50398345
PNG
(CHEMBL2178571)
Show SMILES NCC1CCCN(C1)C(=O)c1ccc2Oc3ccccc3C(C(=O)NC3CCN(C\C4=C\CCCCCCC4)CC3)c2c1
Show InChI InChI=1S/C36H48N4O3/c37-23-27-12-9-19-40(25-27)36(42)28-15-16-33-31(22-28)34(30-13-7-8-14-32(30)43-33)35(41)38-29-17-20-39(21-18-29)24-26-10-5-3-1-2-4-6-11-26/h7-8,10,13-16,22,27,29,34H,1-6,9,11-12,17-21,23-25,37H2,(H,38,41)/b26-10+
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1.80n/an/an/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CCR1


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM113727
PNG
(US8633226, 897)
Show SMILES CC[C@@H](C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
Show InChI InChI=1S/C23H36ClN3O3/c1-7-16(4)25-21(29)26-19(15(2)3)20(28)27-13-12-23(30,22(5,6)14-27)17-8-10-18(24)11-9-17/h8-11,15-16,19,30H,7,12-14H2,1-6H3,(H2,25,26,29)/t16-,19-,23+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...


US Patent US8633226 (2014)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50398339
PNG
(CHEMBL2178569)
Show SMILES CC1(C)CN(CC\C=C2/c3cccnc3COc3ccc(cc23)C(O)=O)C[C@@H]([C@H]1O)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H31ClN2O4/c1-30(2)18-33(16-25(28(30)34)19-7-10-21(31)11-8-19)14-4-6-22-23-5-3-13-32-26(23)17-37-27-12-9-20(29(35)36)15-24(22)27/h3,5-13,15,25,28,34H,4,14,16-18H2,1-2H3,(H,35,36)/b22-6+/t25-,28-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CCR1


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436285
PNG
(CHEMBL2398743 | US8633226, 466)
Show SMILES CC(C)CC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
Show InChI InChI=1S/C23H35ClN2O3/c1-15(2)13-19(27)25-20(16(3)4)21(28)26-12-11-23(29,22(5,6)14-26)17-7-9-18(24)10-8-17/h7-10,15-16,20,29H,11-14H2,1-6H3,(H,25,27)/t20-,23+/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...


US Patent US8633226 (2014)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436259
PNG
(CHEMBL2398716 | US8633226, 1356)
Show SMILES CC(C)[C@@H](NC(=O)CC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
Show InChI InChI=1S/C23H35ClN2O4/c1-15(2)19(25-18(27)13-22(5,6)29)20(28)26-12-11-23(30,21(3,4)14-26)16-7-9-17(24)10-8-16/h7-10,15,19,29-30H,11-14H2,1-6H3,(H,25,27)/t19-,23+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...


US Patent US8633226 (2014)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50398346
PNG
(CHEMBL2178570)
Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H32ClN3O4/c1-17(29)27-22-8-7-21(30)13-23(22)32-16-24(2,31)15-26-20-9-11-28(12-10-20)14-18-3-5-19(25)6-4-18/h3-8,13,20,26,30-31H,9-12,14-16H2,1-2H3,(H,27,29)/t24-/m0/s1
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5n/an/an/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CCR1


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
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5n/an/an/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CCR1


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082670
PNG
(4-(4-Chloro-phenyl)-1-(4,4-diphenyl-butyl)-4-hydro...)
Show SMILES C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H33ClNO/c1-30(21-18-28(31,19-22-30)25-14-16-26(29)17-15-25)20-8-13-27(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-17,27,31H,8,13,18-22H2,1H3/q+1
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6n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082715
PNG
(4-(4-Chloro-phenyl)-1-(4-cyano-4,4-diphenyl-butyl)...)
Show SMILES C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H32ClN2O/c1-32(21-18-29(33,19-22-32)26-13-15-27(30)16-14-26)20-8-17-28(23-31,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-16,33H,8,17-22H2,1H3/q+1
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8n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082729
PNG
(1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC(CNC(=O)NC2CCNCC2)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H43ClN4O2/c35-30-14-12-29(13-15-30)34(41)19-24-39(25-20-34)23-7-18-33(27-8-3-1-4-9-27,28-10-5-2-6-11-28)26-37-32(40)38-31-16-21-36-22-17-31/h1-6,8-15,31,36,41H,7,16-26H2,(H2,37,38,40)
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9n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50402807
PNG
(CHEMBL2208416)
Show SMILES OC(COc1ccccc1NC(=O)C1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N2O4/c26-21-9-8-20(14-22(21)27)33-19-10-12-29(13-11-19)15-18(30)16-32-24-7-2-1-6-23(24)28-25(31)17-4-3-5-17/h1-2,6-9,14,17-19,30H,3-5,10-13,15-16H2,(H,28,31)
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15.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082694
PNG
(4-(4-Chloro-phenyl)-1-(4-cyano-4-naphthalen-2-yl-b...)
Show SMILES C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30ClN2O/c1-30(17-14-27(31,15-18-30)25-10-12-26(28)13-11-25)16-4-7-24(20-29)23-9-8-21-5-2-3-6-22(21)19-23/h2-3,5-6,8-13,19,24,31H,4,7,14-18H2,1H3/q+1
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22n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082682
PNG
(5-{3-[4-(4-Bromo-phenyl)-4-hydroxy-piperidin-1-yl]...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CSc3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C29H29BrN2OS/c30-24-12-10-23(11-13-24)29(33)15-18-32(19-16-29)17-5-14-28(21-31)25-7-2-1-6-22(25)20-34-27-9-4-3-8-26(27)28/h1-4,6-13,33H,5,14-20H2
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22n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082671
PNG
(5-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CSc3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClN2OS/c30-24-12-10-23(11-13-24)29(33)15-18-32(19-16-29)17-5-14-28(21-31)25-7-2-1-6-22(25)20-34-27-9-4-3-8-26(27)28/h1-4,6-13,33H,5,14-20H2
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24n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082737
PNG
(9-{3-[4-(4-Bromo-phenyl)-4-hydroxy-piperidin-1-yl]...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3Cc3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C29H29BrN2O/c30-25-12-10-24(11-13-25)29(33)15-18-32(19-16-29)17-5-14-28(21-31)26-8-3-1-6-22(26)20-23-7-2-4-9-27(23)28/h1-4,6-13,33H,5,14-20H2
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29n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082690
PNG
(11-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-y...)
Show SMILES CN1c2ccccc2C(CCCN2CCC(O)(CC2)c2ccc(Cl)cc2)(C#N)c2ccccc2C1=O
Show InChI InChI=1S/C30H30ClN3O2/c1-33-27-10-5-4-9-26(27)29(21-32,25-8-3-2-7-24(25)28(33)35)15-6-18-34-19-16-30(36,17-20-34)22-11-13-23(31)14-12-22/h2-5,7-14,36H,6,15-20H2,1H3
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32n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082720
PNG
(5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES CCOC(=O)C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(C#N)c1ccccc1
Show InChI InChI=1S/C25H29ClN2O3/c1-2-31-23(29)24(19-27,20-7-4-3-5-8-20)13-6-16-28-17-14-25(30,15-18-28)21-9-11-22(26)12-10-21/h3-5,7-12,30H,2,6,13-18H2,1H3
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33n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082706
PNG
(11-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-y...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3COc3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClN2O2/c30-24-12-10-23(11-13-24)29(33)15-18-32(19-16-29)17-5-14-28(21-31)25-7-2-1-6-22(25)20-34-27-9-4-3-8-26(27)28/h1-4,6-13,33H,5,14-20H2
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34n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082705
PNG
(5-{3-[4-(4-Fluoro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CSc3ccccc23)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H29FN2OS/c30-24-12-10-23(11-13-24)29(33)15-18-32(19-16-29)17-5-14-28(21-31)25-7-2-1-6-22(25)20-34-27-9-4-3-8-26(27)28/h1-4,6-13,33H,5,14-20H2
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44n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082688
PNG
(5-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CCc3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H31ClN2O/c31-26-14-12-25(13-15-26)30(34)17-20-33(21-18-30)19-5-16-29(22-32)27-8-3-1-6-23(27)10-11-24-7-2-4-9-28(24)29/h1-4,6-9,12-15,34H,5,10-11,16-21H2
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45n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082668
PNG
(5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC1(CCN(CCCC(CCCCl)(C#N)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H30Cl2N2O/c26-16-4-12-24(20-28,21-6-2-1-3-7-21)13-5-17-29-18-14-25(30,15-19-29)22-8-10-23(27)11-9-22/h1-3,6-11,30H,4-5,12-19H2
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51n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50027216
PNG
(5-(4-(4-chlorophenyl)-4-hydroxy-piperidin-1-yl)-2,...)
Show SMILES OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H29ClN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-21H2
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52n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082716
PNG
(5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES COC(=O)C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(C#N)c1ccccc1
Show InChI InChI=1S/C24H27ClN2O3/c1-30-22(28)23(18-26,19-6-3-2-4-7-19)12-5-15-27-16-13-24(29,14-17-27)20-8-10-21(25)11-9-20/h2-4,6-11,29H,5,12-17H2,1H3
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53n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082692
PNG
(5-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CS(=O)c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClN2O2S/c30-24-12-10-23(11-13-24)29(33)15-18-32(19-16-29)17-5-14-28(21-31)25-7-2-1-6-22(25)20-35(34)27-9-4-3-8-26(27)28/h1-4,6-13,33H,5,14-20H2
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54n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082733
PNG
(5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC1(CCN(CCCC(C#N)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN2O/c23-21-10-8-20(9-11-21)22(26)12-15-25(16-13-22)14-4-7-19(17-24)18-5-2-1-3-6-18/h1-3,5-6,8-11,19,26H,4,7,12-16H2
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54n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082674
PNG
(5-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3C=Cc3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H29ClN2O/c31-26-14-12-25(13-15-26)30(34)17-20-33(21-18-30)19-5-16-29(22-32)27-8-3-1-6-23(27)10-11-24-7-2-4-9-28(24)29/h1-4,6-15,34H,5,16-21H2
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56n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082692
PNG
(5-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CS(=O)c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClN2O2S/c30-24-12-10-23(11-13-24)29(33)15-18-32(19-16-29)17-5-14-28(21-31)25-7-2-1-6-22(25)20-35(34)27-9-4-3-8-26(27)28/h1-4,6-13,33H,5,14-20H2
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71n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50398338
PNG
(CHEMBL1628706)
Show SMILES CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H31FN4O4/c1-26(2,35)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)/t17-,21+,23+/m1/s1
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74n/an/an/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CCR1


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082701
PNG
(2-(3-Bromo-4-methoxy-phenyl)-5-[4-(4-chloro-phenyl...)
Show SMILES COc1ccc(cc1Br)C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C23H26BrClN2O2/c1-29-22-9-4-17(15-21(22)24)18(16-26)3-2-12-27-13-10-23(28,11-14-27)19-5-7-20(25)8-6-19/h4-9,15,18,28H,2-3,10-14H2,1H3
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74n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082691
PNG
(6-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC1(CCN(CCCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O/c30-27-15-13-26(14-16-27)29(33)18-21-32(22-19-29)20-8-7-17-28(23-31,24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-16,33H,7-8,17-22H2
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78n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082676
PNG
(4-[1-(4-Cyano-4,4-diphenyl-butyl)-4-hydroxy-piperi...)
Show SMILES OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H29N3O/c30-22-24-12-14-27(15-13-24)29(33)17-20-32(21-18-29)19-7-16-28(23-31,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-15,33H,7,16-21H2
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92n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082723
PNG
(5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES CCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(C#N)c1ccccc1
Show InChI InChI=1S/C24H29ClN2O/c1-2-23(19-26,20-7-4-3-5-8-20)13-6-16-27-17-14-24(28,15-18-27)21-9-11-22(25)12-10-21/h3-5,7-12,28H,2,6,13-18H2,1H3
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93n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082717
PNG
(2-{4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC(C#N)c2ccccc2C#N)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN3O/c24-21-9-7-20(8-10-21)23(28)11-14-27(15-12-23)13-3-5-19(17-26)22-6-2-1-4-18(22)16-25/h1-2,4,6-10,19,28H,3,5,11-15H2
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98n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082703
PNG
(7-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC1(CCN(CCCCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O/c31-28-16-14-27(15-17-28)30(34)19-22-33(23-20-30)21-9-3-8-18-29(24-32,25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-2,4-7,10-17,34H,3,8-9,18-23H2
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99n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082730
PNG
(4-(4-Chloro-phenyl)-1-(4,4-diphenyl-butyl)-4-hydro...)
Show SMILES OC1(CC[NH+](CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30ClNO/c28-25-15-13-24(14-16-25)27(30)17-20-29(21-18-27)19-7-12-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,26,30H,7,12,17-21H2/p+1
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116n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082675
PNG
(2-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC(CC#N)(C#N)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O/c25-22-9-7-21(8-10-22)24(29)13-17-28(18-14-24)16-4-11-23(19-27,12-15-26)20-5-2-1-3-6-20/h1-3,5-10,29H,4,11-14,16-18H2
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125n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50416300
PNG
(CHEMBL1171006)
Show SMILES OC(=O)c1ccccc1Oc1c(F)cc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C20H12ClF4NO5S/c21-12-5-7-13(8-6-12)32(29,30)26-16-10-11(20(23,24)25)9-15(22)18(16)31-17-4-2-1-3-14(17)19(27)28/h1-10,26H,(H,27,28)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 assessed as inhibition of MIP-1-alpha-induced [35S]-GTPgammaS binding after 3 to 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50416303
PNG
(CHEMBL1170391)
Show SMILES OC(=O)c1c(F)cccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C20H12ClF4NO5S/c21-12-5-7-13(8-6-12)32(29,30)26-15-10-11(20(23,24)25)4-9-16(15)31-17-3-1-2-14(22)18(17)19(27)28/h1-10,26H,(H,27,28)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 assessed as inhibition of MIP-1-alpha-induced [35S]-GTPgammaS binding after 3 to 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082713
PNG
(5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC1(CCN(CCCC(C#N)c2cccs2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN2OS/c21-18-7-5-17(6-8-18)20(24)9-12-23(13-10-20)11-1-3-16(15-22)19-4-2-14-25-19/h2,4-8,14,16,24H,1,3,9-13H2
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128n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082673
PNG
(5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC1(CCN(CCCC(C#N)(N2CCCCC2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c28-25-12-10-24(11-13-25)27(32)15-20-30(21-16-27)17-7-14-26(22-29,23-8-3-1-4-9-23)31-18-5-2-6-19-31/h1,3-4,8-13,32H,2,5-7,14-21H2
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130n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50408773
PNG
(CHEMBL2112832)
Show SMILES OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29FN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-21H2
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136n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082709
PNG
(5-[4-Hydroxy-4-(4-trifluoromethyl-phenyl)-piperidi...)
Show SMILES OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N2O/c30-29(31,32)26-14-12-25(13-15-26)28(35)17-20-34(21-18-28)19-7-16-27(22-33,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,35H,7,16-21H2
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153n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082678
PNG
(5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES Oc1cccc(c1)C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C22H25ClN2O2/c23-20-8-6-19(7-9-20)22(27)10-13-25(14-11-22)12-2-4-18(16-24)17-3-1-5-21(26)15-17/h1,3,5-9,15,18,26-27H,2,4,10-14H2
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156n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082687
PNG
(5-[3-(4-Hydroxy-4-o-tolyl-piperidin-1-yl)-propyl]-...)
Show SMILES Cc1ccccc1C1(O)CCN(CCCC2(C#N)c3ccccc3CSc3ccccc23)CC1
Show InChI InChI=1S/C30H32N2OS/c1-23-9-2-4-11-25(23)30(33)16-19-32(20-17-30)18-8-15-29(22-31)26-12-5-3-10-24(26)21-34-28-14-7-6-13-27(28)29/h2-7,9-14,33H,8,15-21H2,1H3
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164n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082698
PNG
(5-[3-(4-Hydroxy-4-phenyl-piperidin-1-yl)-propyl]-5...)
Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CSc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C29H30N2OS/c30-22-28(25-12-5-4-9-23(25)21-33-27-14-7-6-13-26(27)28)15-8-18-31-19-16-29(32,17-20-31)24-10-2-1-3-11-24/h1-7,9-14,32H,8,15-21H2
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203n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082725
PNG
(5-(4'-Hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bip...)
Show SMILES OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1cccnc1
Show InChI InChI=1S/C27H29N3O/c28-22-26(23-9-3-1-4-10-23,24-11-5-2-6-12-24)14-8-18-30-19-15-27(31,16-20-30)25-13-7-17-29-21-25/h1-7,9-13,17,21,31H,8,14-16,18-20H2
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206n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082680
PNG
(4-(4-Chloro-phenyl)-1-(4-cyano-4-naphthalen-2-yl-b...)
Show SMILES OC1(CC[NH+](CCCC(C#N)c2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O/c27-25-11-9-24(10-12-25)26(30)13-16-29(17-14-26)15-3-6-23(19-28)22-8-7-20-4-1-2-5-21(20)18-22/h1-2,4-5,7-12,18,23,30H,3,6,13-17H2/p+1
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206n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)

More data for this
Ligand-Target Pair
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