BindingDB logo
myBDB logout

PubMed code 11378372

Compile data set for download or QSAR
Found 10 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))
BDBM50105531
PNG
(1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1...)
Show SMILES O=S1CC2(CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)S(=O)(=O)c3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C29H32N2O3S2/c32-35-22-29(27-13-7-8-14-28(27)35)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)36(33,34)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+,35?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50105531
PNG
(1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1...)
Show SMILES O=S1CC2(CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)S(=O)(=O)c3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C29H32N2O3S2/c32-35-22-29(27-13-7-8-14-28(27)35)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)36(33,34)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+,35?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50096543
PNG
(1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spir...)
Show SMILES CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H34N2O3S2/c1-30(36(33,34)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-35(32)28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50100016
PNG
(1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1...)
Show SMILES O=S(=O)(N1C[C@H](CN2CCC3(CS(=O)(=O)c4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O4S2/c32-36(33)22-29(27-13-7-8-14-28(27)36)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)37(34,35)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50100016
PNG
(1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1...)
Show SMILES O=S(=O)(N1C[C@H](CN2CCC3(CS(=O)(=O)c4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O4S2/c32-36(33)22-29(27-13-7-8-14-28(27)36)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)37(34,35)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50100013
PNG
(1'-[4-phenyl-1-phenylsulfonyl-(3R,4S)-tetrahydro-1...)
Show SMILES O=S1CC2(CCN(C[C@@H]3CN(C[C@@H]3c3ccccc3)S(=O)(=O)c3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C29H32N2O3S2/c32-35-22-29(27-13-7-8-14-28(27)35)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)36(33,34)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26-,35?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50100017
PNG
(1'-[4-phenyl-1-phenylsulfonyl-(3R,4R)-tetrahydro-1...)
Show SMILES O=S(=O)(N1C[C@@H](CN2CCC3(CS(=O)(=O)c4ccccc34)CC2)[C@@H](C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O4S2/c32-36(33)22-29(27-13-7-8-14-28(27)36)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)37(34,35)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+/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
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50100018
PNG
(1'-(4-phenyl-1-phenylsulfonyltetrahydro-1H-3-pyrro...)
Show SMILES O=S(=O)(N1C[C@@H](CN2CCC3(CSc4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O2S2/c32-35(33,25-11-5-2-6-12-25)31-20-24(26(21-31)23-9-3-1-4-10-23)19-30-17-15-29(16-18-30)22-34-28-14-8-7-13-27(28)29/h1-14,24,26H,15-22H2/t24-,26-/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
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50100012
PNG
(1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1...)
Show SMILES O=S(=O)(N1C[C@H](CN2CCC3(CSc4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O2S2/c32-35(33,25-11-5-2-6-12-25)31-20-24(26(21-31)23-9-3-1-4-10-23)19-30-17-15-29(16-18-30)22-34-28-14-8-7-13-27(28)29/h1-14,24,26H,15-22H2/t24-,26+/m0/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
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50100014
PNG
(1'-[4-phenyl-1-phenylsulfonyl-(3R,4S)-tetrahydro-1...)
Show SMILES O=S(=O)(N1C[C@@H](CN2CCC3(CS(=O)(=O)c4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O4S2/c32-36(33)22-29(27-13-7-8-14-28(27)36)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)37(34,35)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26-/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
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%