BindingDB logo
myBDB logout

PubMed code 11549449

Compile data set for download or QSAR
Found 28 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 5


(Homo sapiens (Human))		BDBM50104224
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CC(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H33ClN2O3S/c1-32(37(35,36)26-10-3-2-4-11-26)22-24(23-8-7-9-25(31)20-23)14-17-33-18-15-30(16-19-33)21-29(34)27-12-5-6-13-28(27)30/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104229
PNG
(CHEMBL310780 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(3-...)
Show SMILES CN(C[C@@H](CCN1CCC(CCCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H39ClN2O2S/c1-33(37(35,36)31-16-6-3-7-17-31)25-29(28-14-9-15-30(32)24-28)20-23-34-21-18-27(19-22-34)13-8-12-26-10-4-2-5-11-26/h2-7,9-11,14-17,24,27,29H,8,12-13,18-23,25H2,1H3/t29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50096540
PNG
((2S)-2-(3-chlorophenyl)-1-[(N-methyl-N-phenylsulfo...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-36(33)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-,36?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50096559
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O4S2/c1-31(38(35,36)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-37(33,34)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104218
PNG
(CHEMBL83957 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(4-f...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccc(F)cc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H32ClFN2O2S/c1-31(35(33,34)28-8-3-2-4-9-28)21-25(24-6-5-7-26(29)20-24)16-19-32-17-14-23(15-18-32)22-10-12-27(30)13-11-22/h2-13,20,23,25H,14-19,21H2,1H3/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50096557
PNG
(CHEMBL312701 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phe...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104227
PNG
(1-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidob...)
Show SMILES CN(C[C@@H](CCN1CCC2(CC1)CC(=O)Nc1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H34ClN3O3S/c1-33(38(36,37)26-10-3-2-4-11-26)22-24(23-8-7-9-25(31)20-23)14-17-34-18-15-30(16-19-34)21-29(35)32-28-13-6-5-12-27(28)30/h2-13,20,24H,14-19,21-22H2,1H3,(H,32,35)/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104213
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CC1)CNC(=O)c1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H34ClN3O3S/c1-33(38(36,37)26-10-3-2-4-11-26)21-24(23-8-7-9-25(31)20-23)14-17-34-18-15-30(16-19-34)22-32-29(35)27-12-5-6-13-28(27)30/h2-13,20,24H,14-19,21-22H2,1H3,(H,32,35)/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50096515
PNG
((2S)-2-(3,4-dichlorophenyl)-1-[(N-methyl-N-phenyls...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H32Cl2N2O3S2/c1-32(38(35,36)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-37(34)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-,37?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104220
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CC1)NC(=O)c1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H32ClN3O3S/c1-32(37(35,36)25-10-3-2-4-11-25)21-23(22-8-7-9-24(30)20-22)14-17-33-18-15-29(16-19-33)27-13-6-5-12-26(27)28(34)31-29/h2-13,20,23H,14-19,21H2,1H3,(H,31,34)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104216
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CNc3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H34ClN3O2S/c1-32(36(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-33-18-15-29(16-19-33)22-31-28-13-6-5-12-27(28)29/h2-13,20,24,31H,14-19,21-22H2,1H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104233
PNG
(CHEMBL83882 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phen...)
Show SMILES CN(C[C@@H](CCN1CCC(CCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H37ClN2O2S/c1-32(36(34,35)30-13-6-3-7-14-30)24-28(27-11-8-12-29(31)23-27)19-22-33-20-17-26(18-21-33)16-15-25-9-4-2-5-10-25/h2-14,23,26,28H,15-22,24H2,1H3/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104217
PNG
(CHEMBL431795 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(2-...)
Show SMILES COc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C29H35ClN2O3S/c1-31(36(33,34)27-11-4-3-5-12-27)22-25(24-9-8-10-26(30)21-24)17-20-32-18-15-23(16-19-32)28-13-6-7-14-29(28)35-2/h3-14,21,23,25H,15-20,22H2,1-2H3/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104226
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CC(O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H35ClN2O3S/c1-32(37(35,36)26-10-3-2-4-11-26)22-24(23-8-7-9-25(31)20-23)14-17-33-18-15-30(16-19-33)21-29(34)27-12-5-6-13-28(27)30/h2-13,20,24,29,34H,14-19,21-22H2,1H3/t24-,29?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104225
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CC1)N(C)C(=O)c1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H34ClN3O3S/c1-32(38(36,37)26-11-4-3-5-12-26)22-24(23-9-8-10-25(31)21-23)15-18-34-19-16-30(17-20-34)28-14-7-6-13-27(28)29(35)33(30)2/h3-14,21,24H,15-20,22H2,1-2H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104219
PNG
(CHEMBL82838 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(3-t...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1cccc(c1)C(F)(F)F)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H32ClF3N2O2S/c1-34(38(36,37)28-11-3-2-4-12-28)21-25(24-8-6-10-27(30)20-24)15-18-35-16-13-22(14-17-35)23-7-5-9-26(19-23)29(31,32)33/h2-12,19-20,22,25H,13-18,21H2,1H3/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104214
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CCc3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H35ClN2O2S/c1-32(36(34,35)28-11-3-2-4-12-28)23-26(25-9-7-10-27(31)22-25)15-19-33-20-17-30(18-21-33)16-14-24-8-5-6-13-29(24)30/h2-13,22,26H,14-21,23H2,1H3/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104232
PNG
(CHEMBL83963 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(4-c...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccc(Cl)cc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H32Cl2N2O2S/c1-31(35(33,34)28-8-3-2-4-9-28)21-25(24-6-5-7-27(30)20-24)16-19-32-17-14-23(15-18-32)22-10-12-26(29)13-11-22/h2-13,20,23,25H,14-19,21H2,1H3/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104231
PNG
(CHEMBL79958 | N-[(S)-4-(4-Benzyl-piperidin-1-yl)-2...)
Show SMILES CN(C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H35ClN2O2S/c1-31(35(33,34)29-13-6-3-7-14-29)23-27(26-11-8-12-28(30)22-26)17-20-32-18-15-25(16-19-32)21-24-9-4-2-5-10-24/h2-14,22,25,27H,15-21,23H2,1H3/t27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104221
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(Cc3ccccc3O2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O3S/c1-31(36(33,34)27-11-3-2-4-12-27)22-25(23-9-7-10-26(30)20-23)14-17-32-18-15-29(16-19-32)21-24-8-5-6-13-28(24)35-29/h2-13,20,25H,14-19,21-22H2,1H3/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50096541
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CSc3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2S2/c1-31(36(33,34)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-35-28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104211
PNG
(CHEMBL84120 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-o-to...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1C)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H35ClN2O2S/c1-23-9-6-7-14-29(23)24-15-18-32(19-16-24)20-17-26(25-10-8-11-27(30)21-25)22-31(2)35(33,34)28-12-4-3-5-13-28/h3-14,21,24,26H,15-20,22H2,1-2H3/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104230
PNG
(CHEMBL79697 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phen...)
Show SMILES CN(C[C@@H](CCN1CCN(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H32ClN3O2S/c1-29(34(32,33)27-13-6-3-7-14-27)22-24(23-9-8-10-25(28)21-23)15-16-30-17-19-31(20-18-30)26-11-4-2-5-12-26/h2-14,21,24H,15-20,22H2,1H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104228
PNG
(CHEMBL79369 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-o-to...)
Show SMILES CN(C[C@@H](CCN1CCN(CC1)c1ccccc1C)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H34ClN3O2S/c1-23-9-6-7-14-28(23)32-19-17-31(18-20-32)16-15-25(24-10-8-11-26(29)21-24)22-30(2)35(33,34)27-12-4-3-5-13-27/h3-14,21,25H,15-20,22H2,1-2H3/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104215
PNG
(CHEMBL81692 | N-[(S)-2-(3,4-Dichloro-phenyl)-4-(5-...)
Show SMILES CN(C[C@@H](CCc1ccc(cn1)-c1ccccc1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H26Cl2N2O2S/c1-32(35(33,34)26-10-6-3-7-11-26)20-24(22-14-17-27(29)28(30)18-22)13-16-25-15-12-23(19-31-25)21-8-4-2-5-9-21/h2-12,14-15,17-19,24H,13,16,20H2,1H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells; completely inactive

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104222
PNG
(CHEMBL312231 | N-[(S)-2-(3-Chloro-phenyl)-4-phenet...)
Show SMILES CN(C[C@@H](CCNCCc1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H29ClN2O2S/c1-28(31(29,30)25-13-6-3-7-14-25)20-23(22-11-8-12-24(26)19-22)16-18-27-17-15-21-9-4-2-5-10-21/h2-14,19,23,27H,15-18,20H2,1H3/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells; completely inactive

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104212
PNG
(CHEMBL79882 | N-[(S)-4-Biphenyl-4-yl-2-(3,4-dichlo...)
Show SMILES CN(C[C@@H](CCc1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H27Cl2NO2S/c1-32(35(33,34)27-10-6-3-7-11-27)21-26(25-18-19-28(30)29(31)20-25)17-14-22-12-15-24(16-13-22)23-8-4-2-5-9-23/h2-13,15-16,18-20,26H,14,17,21H2,1H3/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells; completely inactive

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104223
PNG
(CHEMBL82207 | N-[(S)-2-(3-Chloro-phenyl)-4-(methyl...)
Show SMILES CN(CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1cccc(Cl)c1)CCc1ccccc1
Show InChI InChI=1S/C26H31ClN2O2S/c1-28(18-16-22-10-5-3-6-11-22)19-17-24(23-12-9-13-25(27)20-23)21-29(2)32(30,31)26-14-7-4-8-15-26/h3-15,20,24H,16-19,21H2,1-2H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells; completely inactive

Bioorg Med Chem Lett 11: 2469-73 (2001)


BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%