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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' AND taxid = 10090   
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


(Mus musculus)
BDBM50174709
PNG
(CHEMBL372807 | N-(2-(3-(3-(4-fluorobenzyl)-3,8-dia...)
Show SMILES COc1cc(\C=C\C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl
Show InChI InChI=1S/C25H27ClFN3O3/c1-16(31)28-23-12-22(26)24(33-2)11-18(23)5-10-25(32)30-20-8-9-21(30)15-29(14-20)13-17-3-6-19(27)7-4-17/h3-7,10-12,20-21H,8-9,13-15H2,1-2H3,(H,28,31)/b10-5+
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50098624
PNG
(1-Cyclooct-1-enylmethyl-4-[(2,7-dichloro-9H-xanthe...)
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34?;
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n/an/a 5.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I -MIP-1 alpha binding to mouse CCR1 receptors


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098636
PNG
(1-Cyclooct-1-enylmethyl-4-[(2,7-dibromo-9H-xanthen...)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12
Show InChI InChI=1S/C30H36Br2N2O2/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3/p+1/b21-8+
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n/an/a 12n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098624
PNG
(1-Cyclooct-1-enylmethyl-4-[(2,7-dichloro-9H-xanthe...)
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34?;
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n/an/a 21n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against MIP-1 alpha- induced [Ca2+] response in U937 cells expressing mouse CCR1 receptor


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50174710
PNG
(CHEMBL200242 | N-(2-(3-(3-(4-fluorobenzyl)-3,8-dia...)
Show SMILES CN(C)CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2
Show InChI InChI=1S/C26H30ClFN4O2/c1-30(2)17-25(33)29-24-13-20(27)7-5-19(24)6-12-26(34)32-22-10-11-23(32)16-31(15-22)14-18-3-8-21(28)9-4-18/h3-9,12-13,22-23H,10-11,14-17H2,1-2H3,(H,29,33)/b12-6+
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50174718
PNG
(CHEMBL200680 | N-(6-(3-(3-(4-fluorobenzyl)-3,8-dia...)
Show SMILES CC(=O)Nc1cc2ncccc2cc1\C=C\C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2
Show InChI InChI=1S/C27H27FN4O2/c1-18(33)30-26-14-25-20(3-2-12-29-25)13-21(26)6-11-27(34)32-23-9-10-24(32)17-31(16-23)15-19-4-7-22(28)8-5-19/h2-8,11-14,23-24H,9-10,15-17H2,1H3,(H,30,33)/b11-6+
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50174714
PNG
((R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES COc1cc(\C=C\C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl
Show InChI InChI=1S/C24H27ClFN3O3/c1-16-14-28(15-18-4-7-20(26)8-5-18)10-11-29(16)24(31)9-6-19-12-23(32-3)21(25)13-22(19)27-17(2)30/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H,27,30)/b9-6+/t16-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50098641
PNG
(1-Cyclooct-1-enylmethyl-1-ethyl-4-[(9H-xanthene-9-...)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C30H38N2O2/c1-2-32(22-23-12-6-4-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29/h8-12,14-17,24,29H,2-7,13,18-22H2,1H3/p+1/b23-12+
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n/an/a 63n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098648
PNG
(1-Cyclooctylmethyl-4-[(2,7-dibromo-9H-xanthene-9-c...)
Show InChI InChI=1S/C30H38Br2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h10-13,18-19,21,24,29H,2-9,14-17,20H2,1H3;1H
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n/an/a 140n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098633
PNG
(1-Cyclooctylmethyl-4-[(2,7-dibromo-9H-xanthene-9-c...)
Show InChI InChI=1S/C31H40Br2N2O2.HI/c1-2-16-35(21-22-8-6-4-3-5-7-9-22)17-14-25(15-18-35)34-31(36)30-26-19-23(32)10-12-28(26)37-29-13-11-24(33)20-27(29)30;/h10-13,19-20,22,25,30H,2-9,14-18,21H2,1H3;1H
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n/an/a 140n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098627
PNG
(1-Cyclooctylmethyl-4-[(2,7-dibromo-9H-xanthene-9-c...)
Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12
Show InChI InChI=1S/C29H36Br2N2O2/c1-33(19-20-7-5-3-2-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1
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n/an/a 240n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50210977
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O
Show InChI InChI=1S/C24H24ClFN4O4/c1-14-11-29(12-15-2-5-17(26)6-3-15)8-9-30(14)20(31)13-34-19-7-4-16(25)10-18(19)28-22-21(27)23(32)24(22)33/h2-7,10,14,28H,8-9,11-13,27H2,1H3/t14-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


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


(Mus musculus)
BDBM50098628
PNG
(1-Cyclooct-1-enylmethyl-1-propyl-4-[(9H-xanthene-9...)
Show SMILES CCC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C31H40N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h8-12,14-17,25,30H,2-7,13,18-23H2,1H3/p+1/b24-12+
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n/an/a 270n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098637
PNG
(1-Cyclooctylmethyl-1-propyl-4-[(9H-xanthene-9-carb...)
Show SMILES CCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C31H42N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h8-11,14-17,24-25,30H,2-7,12-13,18-23H2,1H3/p+1
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n/an/a 270n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50174707
PNG
((R)-1-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(N)=O
Show InChI InChI=1S/C22H24ClFN4O2/c1-15-13-27(14-16-2-7-19(24)8-3-16)10-11-28(15)21(29)9-5-17-4-6-18(23)12-20(17)26-22(25)30/h2-9,12,15H,10-11,13-14H2,1H3,(H3,25,26,30)/b9-5+/t15-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50098651
PNG
(1-Cyclooct-1-enylmethyl-1-methyl-4-[(9H-xanthene-9...)
Show InChI InChI=1S/C29H36N2O2.HI/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28;/h7-11,13-16,23,28H,2-6,12,17-21H2,1H3;1H/b22-11+;
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n/an/a 350n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098642
PNG
(1-Butyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carbo...)
Show SMILES CCCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C32H44N2O2/c1-2-3-21-34(24-25-13-7-5-4-6-8-14-25)22-19-26(20-23-34)33-32(35)31-27-15-9-11-17-29(27)36-30-18-12-10-16-28(30)31/h9-12,15-18,25-26,31H,2-8,13-14,19-24H2,1H3/p+1
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n/an/a 380n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50174713
PNG
(CHEMBL198852 | N-(2-(3-(4-(4-fluorobenzyl)piperazi...)
Show SMILES CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H23ClFN3O2/c1-16(28)25-21-14-19(23)6-4-18(21)5-9-22(29)27-12-10-26(11-13-27)15-17-2-7-20(24)8-3-17/h2-9,14H,10-13,15H2,1H3,(H,25,28)/b9-5+
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n/an/a 448n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50174706
PNG
((R)-N-(3-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1cc2ccccc2cc1NC(C)=O
Show InChI InChI=1S/C27H28FN3O2/c1-19-17-30(18-21-7-10-25(28)11-8-21)13-14-31(19)27(33)12-9-24-15-22-5-3-4-6-23(22)16-26(24)29-20(2)32/h3-12,15-16,19H,13-14,17-18H2,1-2H3,(H,29,32)/b12-9+/t19-/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50174702
PNG
((R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Show InChI InChI=1S/C23H25ClFN3O2/c1-16-14-27(15-18-3-8-21(25)9-4-18)11-12-28(16)23(30)10-6-19-5-7-20(24)13-22(19)26-17(2)29/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,26,29)/b10-6+/t16-/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50098640
PNG
(9H-Xanthene-9-carboxylic acid (1-cyclooct-1-enylme...)
Show SMILES O=C(NC1CCN(C\C2=C\CCCCCC2)CC1)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C28H34N2O2/c31-28(27-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)27)29-22-16-18-30(19-17-22)20-21-10-4-2-1-3-5-11-21/h6-10,12-15,22,27H,1-5,11,16-20H2,(H,29,31)/b21-10+
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n/an/a 590n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50174708
PNG
(CHEMBL197375 | N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Show InChI InChI=1S/C24H27ClFN3O2/c1-16-14-29(17(2)13-28(16)15-19-4-9-22(26)10-5-19)24(31)11-7-20-6-8-21(25)12-23(20)27-18(3)30/h4-12,16-17H,13-15H2,1-3H3,(H,27,30)/b11-7+/t16-,17+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50210970
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26ClFN4O4/c1-15-12-30(13-16-3-6-18(27)7-4-16)9-10-31(15)21(32)14-35-20-8-5-17(26)11-19(20)29-23-22(28-2)24(33)25(23)34/h3-8,11,15,28-29H,9-10,12-14H2,1-2H3/t15-/m1/s1
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n/an/a 615n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


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


(Mus musculus)
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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n/an/a 615n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


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


(Mus musculus)
BDBM50098626
PNG
(1-Cyclooctylmethyl-1-ethyl-4-[(9H-xanthene-9-carbo...)
Show SMILES CC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C30H40N2O2/c1-2-32(22-23-12-6-4-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29/h8-11,14-17,23-24,29H,2-7,12-13,18-22H2,1H3/p+1
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n/an/a 660n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098620
PNG
(1-Allyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carbo...)
Show SMILES C=CC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C31H40N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h2,8-11,14-17,24-25,30H,1,3-7,12-13,18-23H2/p+1
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n/an/a 670n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098630
PNG
(1-Cyclooctylmethyl-4-[(2,7-dichloro-9H-xanthene-9-...)
Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12
Show InChI InChI=1S/C29H36Cl2N2O2/c1-33(19-20-7-5-3-2-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1
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n/an/a 710n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098624
PNG
(1-Cyclooct-1-enylmethyl-4-[(2,7-dichloro-9H-xanthe...)
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34?;
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n/an/a 740n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in mouse WEHI274.1 cells assessed as inhibition of CCL3/MIP-1alpha-induced chemotaxis


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


(Mus musculus)
BDBM50210982
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O
Show InChI InChI=1S/C26H28ClFN4O5/c1-16-13-31(14-17-2-5-19(28)6-3-17)9-10-32(16)22(34)15-37-21-7-4-18(27)12-20(21)30-24-23(29-8-11-33)25(35)26(24)36/h2-7,12,16,29-30,33H,8-11,13-15H2,1H3/t16-/m1/s1
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n/an/a 960n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


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


(Mus musculus)
BDBM50210979
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O
Show InChI InChI=1S/C26H29ClFN5O4/c1-16-13-32(14-17-2-5-19(28)6-3-17)10-11-33(16)22(34)15-37-21-7-4-18(27)12-20(21)31-24-23(30-9-8-29)25(35)26(24)36/h2-7,12,16,30-31H,8-11,13-15,29H2,1H3/t16-/m1/s1
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n/an/a 968n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


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


(Mus musculus)
BDBM50174705
PNG
((R)-N-(6-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1cc2cccnc2cc1NC(C)=O
Show InChI InChI=1S/C26H27FN4O2/c1-18-16-30(17-20-5-8-23(27)9-6-20)12-13-31(18)26(33)10-7-22-14-21-4-3-11-28-24(21)15-25(22)29-19(2)32/h3-11,14-15,18H,12-13,16-17H2,1-2H3,(H,29,32)/b10-7+/t18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50331728
PNG
(CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of mouse CCR1


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


(Mus musculus)
BDBM50210976
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O
Show InChI InChI=1S/C30H29ClFN5O4/c1-19-16-36(17-20-4-7-23(32)8-5-20)11-12-37(19)26(38)18-41-25-9-6-22(31)13-24(25)35-28-27(29(39)30(28)40)34-15-21-3-2-10-33-14-21/h2-10,13-14,19,34-35H,11-12,15-18H2,1H3/t19-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


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


(Mus musculus)
BDBM50098639
PNG
(1-Benzyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carb...)
Show SMILES O=C(NC1CC[N+](CC2CCCCCCC2)(Cc2ccccc2)CC1)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C35H42N2O2/c38-35(34-30-17-9-11-19-32(30)39-33-20-12-10-18-31(33)34)36-29-21-23-37(24-22-29,26-28-15-7-4-8-16-28)25-27-13-5-2-1-3-6-14-27/h4,7-12,15-20,27,29,34H,1-3,5-6,13-14,21-26H2/p+1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50174703
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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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50210971
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O
Show InChI InChI=1S/C30H36ClFN6O4/c1-20-17-37(18-21-2-5-23(32)6-3-21)14-15-38(20)26(39)19-42-25-7-4-22(31)16-24(25)35-28-27(29(40)30(28)41)34-10-13-36-11-8-33-9-12-36/h2-7,16,20,33-35H,8-15,17-19H2,1H3/t20-/m1/s1
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n/an/a 1.67E+3n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


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


(Mus musculus)
BDBM50210972
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O
Show InChI InChI=1S/C30H35ClFN5O5/c1-20-17-36(18-21-2-5-23(32)6-3-21)10-11-37(20)26(38)19-42-25-7-4-22(31)16-24(25)34-28-27(29(39)30(28)40)33-8-9-35-12-14-41-15-13-35/h2-7,16,20,33-34H,8-15,17-19H2,1H3/t20-/m1/s1
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n/an/a 1.77E+3n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


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


(Mus musculus)
BDBM50098644
PNG
(2,7-Dichloro-9H-xanthene-9-carboxylic acid (1-cycl...)
Show SMILES Clc1ccc2Oc3ccc(Cl)cc3C(C(=O)NC3CCN(C\C4=C\CCCCCC4)CC3)c2c1
Show InChI InChI=1S/C28H32Cl2N2O2/c29-20-8-10-25-23(16-20)27(24-17-21(30)9-11-26(24)34-25)28(33)31-22-12-14-32(15-13-22)18-19-6-4-2-1-3-5-7-19/h6,8-11,16-17,22,27H,1-5,7,12-15,18H2,(H,31,33)/b19-6+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098634
PNG
(1-Cyclooctylmethyl-1-methyl-4-[(9H-xanthene-9-carb...)
Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C29H38N2O2/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3/p+1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098635
PNG
(2,7-Dibromo-9H-xanthene-9-carboxylic acid (1-cyclo...)
Show SMILES Brc1ccc2Oc3ccc(Br)cc3C(C(=O)NC3CCN(C\C4=C\CCCCCC4)CC3)c2c1
Show InChI InChI=1S/C28H32Br2N2O2/c29-20-8-10-25-23(16-20)27(24-17-21(30)9-11-26(24)34-25)28(33)31-22-12-14-32(15-13-22)18-19-6-4-2-1-3-5-7-19/h6,8-11,16-17,22,27H,1-5,7,12-15,18H2,(H,31,33)/b19-6+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50174720
PNG
((R)-N-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)CNc1ccc(Cl)cc1NC(C)=O
Show InChI InChI=1S/C22H26ClFN4O2/c1-15-13-27(14-17-3-6-19(24)7-4-17)9-10-28(15)22(30)12-25-20-8-5-18(23)11-21(20)26-16(2)29/h3-8,11,15,25H,9-10,12-14H2,1-2H3,(H,26,29)/t15-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in mouse WEHI274.1 cells


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


(Mus musculus)
BDBM50174704
PNG
((R)-N-(2-(1-(4-fluorobenzyl)-3-methylpiperazine-4-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2cc(Cl)cc(NC(C)=O)c2[nH]1
Show InChI InChI=1S/C23H24ClFN4O2/c1-14-12-28(13-16-3-5-19(25)6-4-16)7-8-29(14)23(31)21-10-17-9-18(24)11-20(22(17)27-21)26-15(2)30/h3-6,9-11,14,27H,7-8,12-13H2,1-2H3,(H,26,30)/t14-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
BDBM50174717
PNG
((R)-N-(2-(1-(4-fluorobenzyl)-3-methylpiperazine-4-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2cc(Cl)cc(NC(C)=O)c2o1
Show InChI InChI=1S/C23H23ClFN3O3/c1-14-12-27(13-16-3-5-19(25)6-4-16)7-8-28(14)23(30)21-10-17-9-18(24)11-20(22(17)31-21)26-15(2)29/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,26,29)/t14-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse CCR1 in CHO-K1 cells


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


(Mus musculus)
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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n/an/a 5.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098623
PNG
(9H-Xanthene-9-carboxylic acid (1-naphthalen-2-ylme...)
Show SMILES O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C30H28N2O2/c33-30(29-25-9-3-5-11-27(25)34-28-12-6-4-10-26(28)29)31-24-15-17-32(18-16-24)20-21-13-14-22-7-1-2-8-23(22)19-21/h1-14,19,24,29H,15-18,20H2,(H,31,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098622
PNG
(1-Cyclooctylmethyl-4-diphenylacetylamino-1-methyl-...)
Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H40N2O/c1-31(23-24-13-7-3-2-4-8-14-24)21-19-27(20-22-31)30-29(32)28(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h5-6,9-12,15-18,24,27-28H,2-4,7-8,13-14,19-23H2,1H3/p+1
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098631
PNG
(1-Cyclooctylmethyl-4-(2-hydroxy-2,2-diphenyl-acety...)
Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H40N2O2/c1-31(23-24-13-7-3-2-4-8-14-24)21-19-27(20-22-31)30-28(32)29(33,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h5-6,9-12,15-18,24,27,33H,2-4,7-8,13-14,19-23H2,1H3/p+1
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

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


(Mus musculus)
BDBM50098645
PNG
(CHEMBL286355 | N-(1-Cyclooctylmethyl-piperidin-4-y...)
Show SMILES O=C(NC1CCN(CC2CCCCCCC2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N2O/c31-28(27(24-14-8-4-9-15-24)25-16-10-5-11-17-25)29-26-18-20-30(21-19-26)22-23-12-6-2-1-3-7-13-23/h4-5,8-11,14-17,23,26-27H,1-3,6-7,12-13,18-22H2,(H,29,31)
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)

More data for this
Ligand-Target Pair
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