BindingDB logo
myBDB logout

PubMed code 17446072

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210992
PNG
((R,E)-3-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazi...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O
Show InChI InChI=1S/C25H24ClFN4O3/c1-15-13-30(14-16-2-7-19(27)8-3-16)10-11-31(15)21(32)9-5-17-4-6-18(26)12-20(17)29-23-22(28)24(33)25(23)34/h2-9,12,15,29H,10-11,13-14,28H2,1H3/b9-5+/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210992
PNG
((R,E)-3-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazi...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O
Show InChI InChI=1S/C25H24ClFN4O3/c1-15-13-30(14-16-2-7-19(27)8-3-16)10-11-31(15)21(32)9-5-17-4-6-18(26)12-20(17)29-23-22(28)24(33)25(23)34/h2-9,12,15,29H,10-11,13-14,28H2,1H3/b9-5+/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210983
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26BrFN4O4/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210973
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccn2)c(=O)c1=O
Show InChI InChI=1S/C30H29ClFN5O4/c1-19-16-36(17-20-5-8-22(32)9-6-20)12-13-37(19)26(38)18-41-25-10-7-21(31)14-24(25)35-28-27(29(39)30(28)40)34-15-23-4-2-3-11-33-23/h2-11,14,19,34-35H,12-13,15-18H2,1H3/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)		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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210981
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C27H30ClFN4O5/c1-17-14-32(15-18-3-6-20(29)7-4-18)10-11-33(17)23(34)16-38-22-8-5-19(28)13-21(22)31-25-24(26(35)27(25)36)30-9-12-37-2/h3-8,13,17,30-31H,9-12,14-16H2,1-2H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)		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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)		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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)		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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210983
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26BrFN4O4/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210983
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26BrFN4O4/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210995
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccncc2)c(=O)c1=O
Show InChI InChI=1S/C30H29ClFN5O4/c1-19-16-36(17-21-2-5-23(32)6-3-21)12-13-37(19)26(38)18-41-25-7-4-22(31)14-24(25)35-28-27(29(39)30(28)40)34-15-20-8-10-33-11-9-20/h2-11,14,19,34-35H,12-13,15-18H2,1H3/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)		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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210981
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C27H30ClFN4O5/c1-17-14-32(15-18-3-6-20(29)7-4-18)10-11-33(17)23(34)16-38-22-8-5-19(28)13-21(22)31-25-24(26(35)27(25)36)30-9-12-37-2/h3-8,13,17,30-31H,9-12,14-16H2,1-2H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)		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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210981
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C27H30ClFN4O5/c1-17-14-32(15-18-3-6-20(29)7-4-18)10-11-33(17)23(34)16-38-22-8-5-19(28)13-21(22)31-25-24(26(35)27(25)36)30-9-12-37-2/h3-8,13,17,30-31H,9-12,14-16H2,1-2H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210978
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCCC2)c(=O)c1=O
Show InChI InChI=1S/C30H35ClFN5O4/c1-20-17-36(18-21-4-7-23(32)8-5-21)14-15-37(20)26(38)19-41-25-9-6-22(31)16-24(25)34-28-27(29(39)30(28)40)33-10-13-35-11-2-3-12-35/h4-9,16,20,33-34H,2-3,10-15,17-19H2,1H3/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210988
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C26H28ClFN4O4/c1-3-29-23-24(26(35)25(23)34)30-20-12-18(27)6-9-21(20)36-15-22(33)32-11-10-31(13-16(32)2)14-17-4-7-19(28)8-5-17/h4-9,12,16,29-30H,3,10-11,13-15H2,1-2H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210986
PNG
((R,E)-3-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazi...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C26H26ClFN4O3/c1-16-14-31(15-17-3-8-20(28)9-4-17)11-12-32(16)22(33)10-6-18-5-7-19(27)13-21(18)30-24-23(29-2)25(34)26(24)35/h3-10,13,16,29-30H,11-12,14-15H2,1-2H3/b10-6+/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210991
PNG
((R)-3-(2-(2-(4-(4-chlorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26Cl2N4O4/c1-15-12-30(13-16-3-5-17(26)6-4-16)9-10-31(15)21(32)14-35-20-8-7-18(27)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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)		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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210994
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(C)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C26H29FN4O4/c1-16-4-9-21(20(12-16)29-24-23(28-3)25(33)26(24)34)35-15-22(32)31-11-10-30(13-17(31)2)14-18-5-7-19(27)8-6-18/h4-9,12,17,28-29H,10-11,13-15H2,1-3H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50211000
PNG
((R)-3-(2-(2-(4-(3,4-difluorobenzyl)-2-methylpipera...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)c(F)c3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H25ClF2N4O4/c1-14-11-31(12-15-3-5-17(27)18(28)9-15)7-8-32(14)21(33)13-36-20-6-4-16(26)10-19(20)30-23-22(29-2)24(34)25(23)35/h3-6,9-10,14,29-30H,7-8,11-13H2,1-2H3/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)		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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210989
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(F)c(F)cc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H25F3N4O4/c1-14-11-31(12-15-3-5-16(26)6-4-15)7-8-32(14)21(33)13-36-20-10-18(28)17(27)9-19(20)30-23-22(29-2)24(34)25(23)35/h3-6,9-10,14,29-30H,7-8,11-13H2,1-2H3/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210999
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)C)c(=O)c1=O
Show InChI InChI=1S/C28H33ClFN5O4/c1-18-15-34(16-19-4-7-21(30)8-5-19)12-13-35(18)24(36)17-39-23-9-6-20(29)14-22(23)32-26-25(27(37)28(26)38)31-10-11-33(2)3/h4-9,14,18,31-32H,10-13,15-17H2,1-3H3/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210998
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(F)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26F2N4O4/c1-15-12-30(13-16-3-5-17(26)6-4-16)9-10-31(15)21(32)14-35-20-8-7-18(27)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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210984
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C27H30ClFN4O4/c1-3-10-30-24-25(27(36)26(24)35)31-21-13-19(28)6-9-22(21)37-16-23(34)33-12-11-32(14-17(33)2)15-18-4-7-20(29)8-5-18/h4-9,13,17,30-31H,3,10-12,14-16H2,1-2H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210987
PNG
(3-(2-(2-(4-(4-chlorobenzyl)piperazin-1-yl)-2-oxoet...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)c1=O
Show InChI InChI=1S/C24H24Cl2N4O4/c1-27-21-22(24(33)23(21)32)28-18-12-17(26)6-7-19(18)34-14-20(31)30-10-8-29(9-11-30)13-15-2-4-16(25)5-3-15/h2-7,12,27-28H,8-11,13-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210997
PNG
((R)-3-(5-chloro-2-(2-(4-((5-chlorothiophen-2-yl)me...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)s3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C23H24Cl2N4O4S/c1-13-10-28(11-15-4-6-18(25)34-15)7-8-29(13)19(30)12-33-17-5-3-14(24)9-16(17)27-21-20(26-2)22(31)23(21)32/h3-6,9,13,26-27H,7-8,10-12H2,1-2H3/t13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210996
PNG
((R)-3-(2-(2-(4-(4-bromobenzyl)-2-methylpiperazin-1...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Br)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26BrClN4O4/c1-15-12-30(13-16-3-5-17(26)6-4-16)9-10-31(15)21(32)14-35-20-8-7-18(27)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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210990
PNG
((R)-3-(2-(2-(4-benzyl-2-methylpiperazin-1-yl)-2-ox...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H27ClN4O4/c1-16-13-29(14-17-6-4-3-5-7-17)10-11-30(16)21(31)15-34-20-9-8-18(26)12-19(20)28-23-22(27-2)24(32)25(23)33/h3-9,12,16,27-28H,10-11,13-15H2,1-2H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 615n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
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 |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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 615n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210993
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccc2)c(=O)c1=O
Show InChI InChI=1S/C31H30ClFN4O4/c1-20-17-36(18-22-7-10-24(33)11-8-22)13-14-37(20)27(38)19-41-26-12-9-23(32)15-25(26)35-29-28(30(39)31(29)40)34-16-21-5-3-2-4-6-21/h2-12,15,20,34-35H,13-14,16-19H2,1H3/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210980
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2ccccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H27FN4O4/c1-16-13-29(14-17-7-9-18(26)10-8-17)11-12-30(16)21(31)15-34-20-6-4-3-5-19(20)28-23-22(27-2)24(32)25(23)33/h3-10,16,27-28H,11-15H2,1-2H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 920n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 960n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 968n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210985
PNG
((R)-3-(2-(2-(4-(2-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3F)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26ClFN4O4/c1-15-12-30(13-16-5-3-4-6-18(16)27)9-10-31(15)21(32)14-35-20-8-7-17(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.34E+3n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210975
PNG
((R)-3-(2-(2-(4-(3-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3cccc(F)c3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26ClFN4O4/c1-15-12-30(13-16-4-3-5-18(27)10-16)8-9-31(15)21(32)14-35-20-7-6-17(26)11-19(20)29-23-22(28-2)24(33)25(23)34/h3-7,10-11,15,28-29H,8-9,12-14H2,1-2H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.91E+3n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50210974
PNG
(3-(4-{2-[(R)-4-(4-fluoro-benzyl)-2-methyl-piperazi...)
Show SMILES CNc1c(Nc2cc(ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)-c2ccccc2)c(=O)c1=O
Show InChI InChI=1S/C31H31FN4O4/c1-20-17-35(18-21-8-11-24(32)12-9-21)14-15-36(20)27(37)19-40-26-13-10-23(22-6-4-3-5-7-22)16-25(26)34-29-28(33-2)30(38)31(29)39/h3-13,16,20,33-34H,14-15,17-19H2,1-2H3/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis

Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%