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Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'tylaska' and Initial = 'la'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144428
PNG
(CHEMBL66159 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN
Show InChI InChI=1S/C26H32FN5O3/c1-26(2,27)13-12-18(24(34)32-28)15-23(33)21(14-17-8-4-3-5-9-17)31-25(35)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,33H,12-15,28H2,1-2H3,(H,31,35)(H,32,34)/t18?,21-,23-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144400
PNG
(CHEMBL304358 | Quinoxaline-2-carboxylic acid ((1S,...)
Show SMILES CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H32N4O3/c1-17(2)12-13-19(25(27)32)15-24(31)22(14-18-8-4-3-5-9-18)30-26(33)23-16-28-20-10-6-7-11-21(20)29-23/h3-11,16-17,19,22,24,31H,12-15H2,1-2H3,(H2,27,32)(H,30,33)/t19-,22+,24+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144420
PNG
(CHEMBL68145 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1
Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20?,23-,25-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144431
PNG
(CHEMBL303673 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES ONC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C27H30F2N4O4/c28-27(29)12-10-18(11-13-27)19(25(35)33-37)15-24(34)22(14-17-6-2-1-3-7-17)32-26(36)23-16-30-20-8-4-5-9-21(20)31-23/h1-9,16,18-19,22,24,34,37H,10-15H2,(H,32,36)(H,33,35)/t19?,22-,24-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144428
PNG
(CHEMBL66159 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN
Show InChI InChI=1S/C26H32FN5O3/c1-26(2,27)13-12-18(24(34)32-28)15-23(33)21(14-17-8-4-3-5-9-17)31-25(35)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,33H,12-15,28H2,1-2H3,(H,31,35)(H,32,34)/t18?,21-,23-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50209006
PNG
(1-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpi...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1NC(=O)NCCN
Show InChI InChI=1S/C24H31ClFN5O3/c1-16-13-31(17(2)12-30(16)14-18-3-6-20(26)7-4-18)23(32)15-34-22-8-5-19(25)11-21(22)29-24(33)28-10-9-27/h3-8,11,16-17H,9-10,12-15,27H2,1-2H3,(H2,28,29,33)/t16-,17+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144420
PNG
(CHEMBL68145 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1
Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20?,23-,25-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144396
PNG
(CHEMBL69375 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1
Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20-,23-,25-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144431
PNG
(CHEMBL303673 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES ONC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C27H30F2N4O4/c28-27(29)12-10-18(11-13-27)19(25(35)33-37)15-24(34)22(14-17-6-2-1-3-7-17)32-26(36)23-16-30-20-8-4-5-9-21(20)31-23/h1-9,16,18-19,22,24,34,37H,10-15H2,(H,32,36)(H,33,35)/t19?,22-,24-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144417
PNG
(CHEMBL68366 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H31FN4O3/c1-26(2,27)13-12-18(24(28)33)15-23(32)21(14-17-8-4-3-5-9-17)31-25(34)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,32H,12-15H2,1-2H3,(H2,28,33)(H,31,34)/t18-,21+,23+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50209001
PNG
(4-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpi...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1C(=O)CCC(O)=O
Show InChI InChI=1S/C25H28ClFN2O5/c1-16-13-29(17(2)12-28(16)14-18-3-6-20(27)7-4-18)24(31)15-34-23-9-5-19(26)11-21(23)22(30)8-10-25(32)33/h3-7,9,11,16-17H,8,10,12-15H2,1-2H3,(H,32,33)/t16-,17+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144417
PNG
(CHEMBL68366 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H31FN4O3/c1-26(2,27)13-12-18(24(28)33)15-23(32)21(14-17-8-4-3-5-9-17)31-25(34)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,32H,12-15H2,1-2H3,(H2,28,33)(H,31,34)/t18-,21+,23+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144412
PNG
(CHEMBL69659 | Quinoxaline-2-carboxylic acid [(1S,2...)
Show SMILES CC1CC(CC(C)O1)[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C28H34N4O4/c1-17-12-20(13-18(2)36-17)21(27(29)34)15-26(33)24(14-19-8-4-3-5-9-19)32-28(35)25-16-30-22-10-6-7-11-23(22)31-25/h3-11,16-18,20-21,24,26,33H,12-15H2,1-2H3,(H2,29,34)(H,32,35)/t17?,18?,20?,21-,24-,26-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144421
PNG
(CHEMBL302533 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C27H30F2N4O3/c28-27(29)12-10-18(11-13-27)19(25(30)35)15-24(34)22(14-17-6-2-1-3-7-17)33-26(36)23-16-31-20-8-4-5-9-21(20)32-23/h1-9,16,18-19,22,24,34H,10-15H2,(H2,30,35)(H,33,36)/t19?,22-,24-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144415
PNG
(CHEMBL304845 | Quinoxaline-2-carboxylic acid ((1S,...)
Show SMILES CNC(=O)[C@H](CCC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H34N4O3/c1-18(2)13-14-20(26(33)28-3)16-25(32)23(15-19-9-5-4-6-10-19)31-27(34)24-17-29-21-11-7-8-12-22(21)30-24/h4-12,17-18,20,23,25,32H,13-16H2,1-3H3,(H,28,33)(H,31,34)/t20-,23+,25+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50209003
PNG
((2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpipe...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1CS(O)(=O)=O
Show InChI InChI=1S/C22H26ClFN2O5S/c1-15-11-26(16(2)10-25(15)12-17-3-6-20(24)7-4-17)22(27)13-31-21-8-5-19(23)9-18(21)14-32(28,29)30/h3-9,15-16H,10-14H2,1-2H3,(H,28,29,30)/t15-,16+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144393
PNG
(CHEMBL69274 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCC1
Show InChI InChI=1S/C26H30N4O3/c27-25(32)19(18-10-4-5-11-18)15-24(31)22(14-17-8-2-1-3-9-17)30-26(33)23-16-28-20-12-6-7-13-21(20)29-23/h1-3,6-9,12-13,16,18-19,22,24,31H,4-5,10-11,14-15H2,(H2,27,32)(H,30,33)/t19-,22-,24-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144419
PNG
(CHEMBL305423 | Quinoxaline-2-carboxylic acid ((1S,...)
Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO
Show InChI InChI=1S/C26H31FN4O4/c1-26(2,27)13-12-18(24(33)31-35)15-23(32)21(14-17-8-4-3-5-9-17)30-25(34)22-16-28-19-10-6-7-11-20(19)29-22/h3-11,16,18,21,23,32,35H,12-15H2,1-2H3,(H,30,34)(H,31,33)/t18?,21-,23-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144400
PNG
(CHEMBL304358 | Quinoxaline-2-carboxylic acid ((1S,...)
Show SMILES CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H32N4O3/c1-17(2)12-13-19(25(27)32)15-24(31)22(14-18-8-4-3-5-9-18)30-26(33)23-16-28-20-10-6-7-11-21(20)29-23/h3-11,16-17,19,22,24,31H,12-15H2,1-2H3,(H2,27,32)(H,30,33)/t19-,22+,24+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144400
PNG
(CHEMBL304358 | Quinoxaline-2-carboxylic acid ((1S,...)
Show SMILES CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H32N4O3/c1-17(2)12-13-19(25(27)32)15-24(31)22(14-18-8-4-3-5-9-18)30-26(33)23-16-28-20-10-6-7-11-21(20)29-23/h3-11,16-17,19,22,24,31H,12-15H2,1-2H3,(H2,27,32)(H,30,33)/t19-,22+,24+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50209000
PNG
(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiper...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1C(=O)NCCN
Show InChI InChI=1S/C24H30ClFN4O3/c1-16-13-30(17(2)12-29(16)14-18-3-6-20(26)7-4-18)23(31)15-33-22-8-5-19(25)11-21(22)24(32)28-10-9-27/h3-8,11,16-17H,9-10,12-15,27H2,1-2H3,(H,28,32)/t16-,17+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144419
PNG
(CHEMBL305423 | Quinoxaline-2-carboxylic acid ((1S,...)
Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO
Show InChI InChI=1S/C26H31FN4O4/c1-26(2,27)13-12-18(24(33)31-35)15-23(32)21(14-17-8-4-3-5-9-17)30-25(34)22-16-28-19-10-6-7-11-20(19)29-22/h3-11,16,18,21,23,32,35H,12-15H2,1-2H3,(H,30,34)(H,31,33)/t18?,21-,23-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
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 |r|
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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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50209004
PNG
(2-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpi...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1CC(O)=O
Show InChI InChI=1S/C23H26ClFN2O4/c1-15-12-27(16(2)11-26(15)13-17-3-6-20(25)7-4-17)22(28)14-31-21-8-5-19(24)9-18(21)10-23(29)30/h3-9,15-16H,10-14H2,1-2H3,(H,29,30)/t15-,16+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50144378
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1S,2S,4S)-6...)
Show SMILES CNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)CC(Cl)=C
Show InChI InChI=1S/C25H33Cl2N3O3/c1-15(26)10-18(24(32)28-2)14-23(31)21(11-16-6-4-3-5-7-16)30-25(33)22-13-17-12-19(27)8-9-20(17)29-22/h8-9,12-13,16,18,21,23,29,31H,1,3-7,10-11,14H2,2H3,(H,28,32)(H,30,33)/t18-,21+,23+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against renin was determined


Bioorg Med Chem Lett 14: 2163-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.020
BindingDB Entry DOI: 10.7270/Q2CV4H5M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50209002
PNG
(CHEMBL391239 | methyl 2-(2-(2-((2R,5S)-4-(4-fluoro...)
Show SMILES COS(=O)(=O)NC(=O)Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C
Show InChI InChI=1S/C24H29ClFN3O6S/c1-16-13-29(17(2)12-28(16)14-18-4-7-21(26)8-5-18)24(31)15-35-22-9-6-20(25)10-19(22)11-23(30)27-36(32,33)34-3/h4-10,16-17H,11-15H2,1-3H3,(H,27,30)/t16-,17+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144422
PNG
(CHEMBL308473 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES CC(C)(O)CCC(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-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144404
PNG
(CHEMBL306685 | Quinoxaline-2-carboxylic acid ((1S,...)
Show SMILES NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)CC1CCCC1
Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(14-18-10-4-5-11-18)16-25(32)23(15-19-8-2-1-3-9-19)31-27(34)24-17-29-21-12-6-7-13-22(21)30-24/h1-3,6-9,12-13,17-18,20,23,25,32H,4-5,10-11,14-16H2,(H2,28,33)(H,31,34)/t20-,23+,25+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144425
PNG
(CHEMBL304053 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES CC(C)(O)CCC(C[C@H](O)[C@H](Cc1ccccc1F)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H31FN4O4/c1-26(2,35)12-11-17(24(28)33)14-23(32)21(13-16-7-3-4-8-18(16)27)31-25(34)22-15-29-19-9-5-6-10-20(19)30-22/h3-10,15,17,21,23,32,35H,11-14H2,1-2H3,(H2,28,33)(H,31,34)/t17?,21-,23-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50208998
PNG
(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiper...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C22H24ClFN2O4/c1-14-11-26(15(2)10-25(14)12-16-3-6-18(24)7-4-16)21(27)13-30-20-8-5-17(23)9-19(20)22(28)29/h3-9,14-15H,10-13H2,1-2H3,(H,28,29)/t14-,15+/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144391
PNG
(CHEMBL68581 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H32N4O3/c1-17(2)13-19(25(32)27-3)15-24(31)22(14-18-9-5-4-6-10-18)30-26(33)23-16-28-20-11-7-8-12-21(20)29-23/h4-12,16-17,19,22,24,31H,13-15H2,1-3H3,(H,27,32)(H,30,33)/t19-,22+,24+/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144422
PNG
(CHEMBL308473 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES CC(C)(O)CCC(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-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144423
PNG
(CHEMBL302320 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1
Show InChI InChI=1S/C27H30F2N4O4/c28-27(29)12-10-26(37,11-13-27)18(24(30)35)15-23(34)21(14-17-6-2-1-3-7-17)33-25(36)22-16-31-19-8-4-5-9-20(19)32-22/h1-9,16,18,21,23,34,37H,10-15H2,(H2,30,35)(H,33,36)/t18?,21-,23-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144416
PNG
(CHEMBL69123 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CCNC(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C28H35FN4O3/c1-4-30-26(35)20(14-15-28(2,3)29)17-25(34)23(16-19-10-6-5-7-11-19)33-27(36)24-18-31-21-12-8-9-13-22(21)32-24/h5-13,18,20,23,25,34H,4,14-17H2,1-3H3,(H,30,35)(H,33,36)/t20?,23-,25-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144424
PNG
(CHEMBL306457 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCCCC1
Show InChI InChI=1S/C27H32N4O4/c28-25(33)19(27(35)13-7-2-8-14-27)16-24(32)22(15-18-9-3-1-4-10-18)31-26(34)23-17-29-20-11-5-6-12-21(20)30-23/h1,3-6,9-12,17,19,22,24,32,35H,2,7-8,13-16H2,(H2,28,33)(H,31,34)/t19?,22-,24-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144386
PNG
(CHEMBL69978 | Quinoline-2-carboxylic acid ((1S,2S,...)
Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C27H33N3O3/c1-18(2)15-21(26(32)28-3)17-25(31)24(16-19-9-5-4-6-10-19)30-27(33)23-14-13-20-11-7-8-12-22(20)29-23/h4-14,18,21,24-25,31H,15-17H2,1-3H3,(H,28,32)(H,30,33)/t21-,24+,25+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144416
PNG
(CHEMBL69123 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CCNC(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C28H35FN4O3/c1-4-30-26(35)20(14-15-28(2,3)29)17-25(34)23(16-19-10-6-5-7-11-19)33-27(36)24-18-31-21-12-8-9-13-22(21)32-24/h5-13,18,20,23,25,34H,4,14-17H2,1-3H3,(H,30,35)(H,33,36)/t20?,23-,25-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144411
PNG
(CHEMBL71242 | Quinoxaline-2-carboxylic acid [(1S,2...)
Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H30Cl2N4O3/c1-15(2)10-17(25(34)29-3)13-24(33)22(12-16-8-9-18(27)19(28)11-16)32-26(35)23-14-30-20-6-4-5-7-21(20)31-23/h4-9,11,14-15,17,22,24,33H,10,12-13H2,1-3H3,(H,29,34)(H,32,35)/t17-,22+,24+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144421
PNG
(CHEMBL302533 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C27H30F2N4O3/c28-27(29)12-10-18(11-13-27)19(25(30)35)15-24(34)22(14-17-6-2-1-3-7-17)33-26(36)23-16-31-20-8-4-5-9-21(20)32-23/h1-9,16,18-19,22,24,34H,10-15H2,(H2,30,35)(H,33,36)/t19?,22-,24-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144399
PNG
(CHEMBL68551 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)Cc1ccccc1
Show InChI InChI=1S/C28H28N4O3/c29-27(34)21(15-19-9-3-1-4-10-19)17-26(33)24(16-20-11-5-2-6-12-20)32-28(35)25-18-30-22-13-7-8-14-23(22)31-25/h1-14,18,21,24,26,33H,15-17H2,(H2,29,34)(H,32,35)/t21-,24+,26+/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144414
PNG
(CHEMBL69816 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C27H34N4O3/c1-18(2)9-8-12-20(26(28)33)16-25(32)23(15-19-10-4-3-5-11-19)31-27(34)24-17-29-21-13-6-7-14-22(21)30-24/h3-7,10-11,13-14,17-18,20,23,25,32H,8-9,12,15-16H2,1-2H3,(H2,28,33)(H,31,34)/t20-,23+,25+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144430
PNG
(CHEMBL65784 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C33H37FN4O3/c1-33(2,34)18-17-25(31(40)36-21-24-13-7-4-8-14-24)20-30(39)28(19-23-11-5-3-6-12-23)38-32(41)29-22-35-26-15-9-10-16-27(26)37-29/h3-16,22,25,28,30,39H,17-21H2,1-2H3,(H,36,40)(H,38,41)/t25?,28-,30-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50208997
PNG
(CHEMBL234606 | N-((2S,3S,5R)-5-(aminomethyl)-1-(3-...)
Show SMILES CC(C)(O)CC[C@@H](CN)C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H33FN4O3/c1-26(2,34)11-10-18(15-28)14-24(32)22(13-17-6-5-7-19(27)12-17)31-25(33)23-16-29-20-8-3-4-9-21(20)30-23/h3-9,12,16,18,22,24,32,34H,10-11,13-15,28H2,1-2H3,(H,31,33)/t18-,22+,24+/m1/s1
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n/an/a 480n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144401
PNG
(CHEMBL67256 | N-((1S,2S,4R)-1-Benzyl-2-hydroxy-6-m...)
Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cncc(Br)c1
Show InChI InChI=1S/C23H30BrN3O3/c1-15(2)9-17(22(29)25-3)12-21(28)20(10-16-7-5-4-6-8-16)27-23(30)18-11-19(24)14-26-13-18/h4-8,11,13-15,17,20-21,28H,9-10,12H2,1-3H3,(H,25,29)(H,27,30)/t17-,20+,21+/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144424
PNG
(CHEMBL306457 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCCCC1
Show InChI InChI=1S/C27H32N4O4/c28-25(33)19(27(35)13-7-2-8-14-27)16-24(32)22(15-18-9-3-1-4-10-18)31-26(34)23-17-29-20-11-5-6-12-21(20)30-23/h1,3-6,9-12,17,19,22,24,32,35H,2,7-8,13-16H2,(H2,28,33)(H,31,34)/t19?,22-,24-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144423
PNG
(CHEMBL302320 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1
Show InChI InChI=1S/C27H30F2N4O4/c28-27(29)12-10-26(37,11-13-27)18(24(30)35)15-23(34)21(14-17-6-2-1-3-7-17)33-25(36)22-16-31-19-8-4-5-9-20(19)32-22/h1-9,16,18,21,23,34,37H,10-15H2,(H2,30,35)(H,33,36)/t18?,21-,23-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144426
PNG
(CHEMBL66457 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H32N4O4/c1-26(2,34)13-12-18(24(27)32)15-23(31)21(14-17-8-4-3-5-9-17)30-25(33)22-16-28-19-10-6-7-11-20(19)29-22/h3-11,16,18,21,23,31,34H,12-15H2,1-2H3,(H2,27,32)(H,30,33)/t18-,21+,23+/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144402
PNG
(CHEMBL302328 | Isoquinoline-1-carboxylic acid ((1S...)
Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1nccc2ccccc12
Show InChI InChI=1S/C27H33N3O3/c1-18(2)15-21(26(32)28-3)17-24(31)23(16-19-9-5-4-6-10-19)30-27(33)25-22-12-8-7-11-20(22)13-14-29-25/h4-14,18,21,23-24,31H,15-17H2,1-3H3,(H,28,32)(H,30,33)/t21-,23+,24+/m1/s1
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n/an/a 580n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144407
PNG
(CHEMBL308209 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H32N4O4/c1-16(2)12-18(25(33)27-3)14-24(32)22(13-17-8-10-19(31)11-9-17)30-26(34)23-15-28-20-6-4-5-7-21(20)29-23/h4-11,15-16,18,22,24,31-32H,12-14H2,1-3H3,(H,27,33)(H,30,34)/t18-,22+,24+/m1/s1
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n/an/a 610n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144376
PNG
(CHEMBL69411 | Quinoline-3-carboxylic acid ((1S,2S,...)
Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C27H33N3O3/c1-18(2)13-21(26(32)28-3)16-25(31)24(14-19-9-5-4-6-10-19)30-27(33)22-15-20-11-7-8-12-23(20)29-17-22/h4-12,15,17-18,21,24-25,31H,13-14,16H2,1-3H3,(H,28,32)(H,30,33)/t21-,24+,25+/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
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