new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 508 hits with Last Name = 'schols' and Initial = 'd'   
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-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50270276
PNG
(CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...)
Show SMILES C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50270276
PNG
(CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...)
Show SMILES C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
110n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cells


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50035696
PNG
(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
220n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50035696
PNG
(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
890n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cells


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50270277
PNG
(Benzyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmeth...)
Show SMILES C(NCc1ccc(CN2CCCNCCNCCCNCC2)cc1)c1ccccc1
Show InChI InChI=1S/C25H39N5/c1-2-6-23(7-3-1)20-29-21-24-8-10-25(11-9-24)22-30-18-5-14-27-16-15-26-12-4-13-28-17-19-30/h1-3,6-11,26-29H,4-5,12-22H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50035719
PNG
(1-(4-Methyl-benzyl)-1,4,8,11tetraaza-cyclotetradec...)
Show SMILES Cc1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C18H32N4/c1-17-4-6-18(7-5-17)16-22-14-3-10-20-12-11-19-8-2-9-21-13-15-22/h4-7,19-21H,2-3,8-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394591
PNG
(CHEMBL2164207)
Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1Cl |r|
Show InChI InChI=1S/C23H31Cl2N5O3S/c1-15-12-19(24)27-21(25)20(15)22(31)26-8-4-16(2)29-9-5-18(6-10-29)30(23(32)28-33-3)13-17-7-11-34-14-17/h7,11-12,14,16,18H,4-6,8-10,13H2,1-3H3,(H,26,31)(H,28,32)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359481
PNG
(CHEMBL1926899)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C(=O)NC(C)C |r|
Show InChI InChI=1S/C35H48N6O3/c1-23(2)38-34(42)32-20-25(4)33(27(6)39-32)35(43)37-17-13-26(5)40-18-14-30(15-19-40)41(22-28-21-36-16-12-24(28)3)29-8-10-31(44-7)11-9-29/h8-12,16,20-21,23,26,30H,13-15,17-19,22H2,1-7H3,(H,37,43)(H,38,42)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0900n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394596
PNG
(CHEMBL2164202)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CN1CCOC1=O |r|
Show InChI InChI=1S/C27H36ClN5O4S/c1-18-14-23(28)30-20(3)25(18)26(35)29-8-4-19(2)31-9-5-22(6-10-31)33(15-21-7-13-38-17-21)24(34)16-32-11-12-37-27(32)36/h7,13-14,17,19,22H,4-6,8-12,15-16H2,1-3H3,(H,29,35)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394588
PNG
(CHEMBL2164210)
Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1Cl)C#N |r|
Show InChI InChI=1S/C24H31ClN6O3S/c1-16-12-19(13-26)28-22(25)21(16)23(32)27-8-4-17(2)30-9-5-20(6-10-30)31(24(33)29-34-3)14-18-7-11-35-15-18/h7,11-12,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,32)(H,29,33)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394601
PNG
(CHEMBL2164217)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C28H35ClN6O2S/c1-19-15-25(29)32-21(3)26(19)27(36)31-11-6-20(2)34-12-7-24(8-13-34)35(17-22-9-14-38-18-22)28(37)33-23-5-4-10-30-16-23/h4-5,9-10,14-16,18,20,24H,6-8,11-13,17H2,1-3H3,(H,31,36)(H,33,37)/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359487
PNG
(CHEMBL1926893)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C31H40ClN5O2/c1-21-10-14-33-19-25(21)20-37(26-6-8-28(39-5)9-7-26)27-12-16-36(17-13-27)23(3)11-15-34-31(38)30-22(2)18-29(32)35-24(30)4/h6-10,14,18-19,23,27H,11-13,15-17,20H2,1-5H3,(H,34,38)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359478
PNG
(CHEMBL1927009)
Show SMILES COc1ccc(cc1)N(Cc1cccc(n1)C#N)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C31H37ClN6O2/c1-21-18-29(32)35-23(3)30(21)31(39)34-15-12-22(2)37-16-13-27(14-17-37)38(26-8-10-28(40-4)11-9-26)20-25-7-5-6-24(19-33)36-25/h5-11,18,22,27H,12-17,20H2,1-4H3,(H,34,39)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359459
PNG
(CHEMBL1927008)
Show SMILES COc1ccc(cc1)N(Cc1cccc(n1)C#N)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C#N |r|
Show InChI InChI=1S/C32H37N7O2/c1-22-18-27(20-34)36-24(3)31(22)32(40)35-15-12-23(2)38-16-13-29(14-17-38)39(28-8-10-30(41-4)11-9-28)21-26-7-5-6-25(19-33)37-26/h5-11,18,23,29H,12-17,21H2,1-4H3,(H,35,40)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441708
PNG
(CHEMBL2435848)
Show SMILES Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C34H46ClN5O2/c1-24-22-30(35)36-25(2)31(24)32(41)37-20-16-34(3,17-21-37)38-18-14-28(15-19-38)40-29(26-10-6-4-7-11-26)23-39(33(40)42)27-12-8-5-9-13-27/h4,6-7,10-11,22,27-29H,5,8-9,12-21,23H2,1-3H3/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394595
PNG
(CHEMBL2164203)
Show SMILES CNC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C24H34ClN5O2S/c1-16-13-21(25)28-18(3)22(16)23(31)27-9-5-17(2)29-10-6-20(7-11-29)30(24(32)26-4)14-19-8-12-33-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,32)(H,27,31)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394593
PNG
(CHEMBL2164205)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NO |r|
Show InChI InChI=1S/C23H32ClN5O3S/c1-15-12-20(24)26-17(3)21(15)22(30)25-8-4-16(2)28-9-5-19(6-10-28)29(23(31)27-32)13-18-7-11-33-14-18/h7,11-12,14,16,19,32H,4-6,8-10,13H2,1-3H3,(H,25,30)(H,27,31)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394592
PNG
(CHEMBL2164206)
Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C24H34ClN5O3S/c1-16-13-21(25)27-18(3)22(16)23(31)26-9-5-17(2)29-10-6-20(7-11-29)30(24(32)28-33-4)14-19-8-12-34-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,31)(H,28,32)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394587
PNG
(CHEMBL2164211)
Show SMILES COCCONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C26H38ClN5O4S/c1-18-15-23(27)29-20(3)24(18)25(33)28-9-5-19(2)31-10-6-22(7-11-31)32(16-21-8-14-37-17-21)26(34)30-36-13-12-35-4/h8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,30,34)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359485
PNG
(CHEMBL1926896)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C |r|
Show InChI InChI=1S/C31H40FN5O2/c1-21-10-14-33-19-25(21)20-37(26-6-8-28(39-5)9-7-26)27-12-16-36(17-13-27)23(3)11-15-34-31(38)30-22(2)18-29(32)35-24(30)4/h6-10,14,18-19,23,27H,11-13,15-17,20H2,1-5H3,(H,34,38)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359482
PNG
(CHEMBL1926898)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C#N |r|
Show InChI InChI=1S/C32H40N6O2/c1-22-10-14-34-20-26(22)21-38(28-6-8-30(40-5)9-7-28)29-12-16-37(17-13-29)24(3)11-15-35-32(39)31-23(2)18-27(19-33)36-25(31)4/h6-10,14,18,20,24,29H,11-13,15-17,21H2,1-5H3,(H,35,39)/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394599
PNG
(CHEMBL2164219)
Show SMILES COCC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C25H35ClN4O3S/c1-17-13-22(26)28-19(3)24(17)25(32)27-9-5-18(2)29-10-6-21(7-11-29)30(23(31)15-33-4)14-20-8-12-34-16-20/h8,12-13,16,18,21H,5-7,9-11,14-15H2,1-4H3,(H,27,32)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441729
PNG
(CHEMBL2435857)
Show SMILES Cc1nc(Sc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C33H38N4O4S/c1-23-26(9-12-31(34-23)42-29-10-7-25(8-11-29)32(38)39)21-35-17-13-28(14-18-35)37-30(24-5-3-2-4-6-24)22-36(33(37)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H,38,39)/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394589
PNG
(CHEMBL2164209)
Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)[n+]([O-])c1Cl |r|
Show InChI InChI=1S/C23H31Cl2N5O4S/c1-15-12-19(24)30(33)21(25)20(15)22(31)26-8-4-16(2)28-9-5-18(6-10-28)29(23(32)27-34-3)13-17-7-11-35-14-17/h7,11-12,14,16,18H,4-6,8-10,13H2,1-3H3,(H,26,31)(H,27,32)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394590
PNG
(CHEMBL2164208)
Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C(=O)NC(C)C |r|
Show InChI InChI=1S/C28H42N6O4S/c1-18(2)30-26(35)24-15-19(3)25(21(5)31-24)27(36)29-11-7-20(4)33-12-8-23(9-13-33)34(28(37)32-38-6)16-22-10-14-39-17-22/h10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,36)(H,30,35)(H,32,37)/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394598
PNG
(CHEMBL2164220)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC#N |r|
Show InChI InChI=1S/C25H32ClN5O2S/c1-17-14-22(26)29-19(3)24(17)25(33)28-10-5-18(2)30-11-6-21(7-12-30)31(23(32)4-9-27)15-20-8-13-34-16-20/h8,13-14,16,18,21H,4-7,10-12,15H2,1-3H3,(H,28,33)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394586
PNG
(CHEMBL2164212)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C31H38ClN5O4S/c1-20-16-27(32)35-22(3)28(20)29(38)33-12-8-21(2)36-13-9-26(10-14-36)37(18-24-11-15-42-19-24)31(41)34-17-23-4-6-25(7-5-23)30(39)40/h4-7,11,15-16,19,21,26H,8-10,12-14,17-18H2,1-3H3,(H,33,38)(H,34,41)(H,39,40)/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441689
PNG
(CHEMBL2435886)
Show SMILES C[C@@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441719
PNG
(CHEMBL2435853)
Show SMILES Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C33H37ClN4O5/c1-22-25(7-10-31(35-22)43-29-8-5-23(6-9-29)32(39)40)20-36-15-11-28(12-16-36)38-30(24-3-2-4-26(34)19-24)21-37(33(38)41)27-13-17-42-18-14-27/h2-10,19,27-28,30H,11-18,20-21H2,1H3,(H,39,40)/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359480
PNG
(CHEMBL1926900)
Show SMILES COCCOc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C33H44ClN5O3/c1-23-10-14-35-21-27(23)22-39(28-6-8-30(9-7-28)42-19-18-41-5)29-12-16-38(17-13-29)25(3)11-15-36-33(40)32-24(2)20-31(34)37-26(32)4/h6-10,14,20-21,25,29H,11-13,15-19,22H2,1-5H3,(H,36,40)/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359489
PNG
(CHEMBL1926891)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ccnc1Cl |r|
Show InChI InChI=1S/C30H38ClN5O2/c1-21-9-14-32-19-24(21)20-36(25-5-7-27(38-4)8-6-25)26-12-17-35(18-13-26)23(3)11-16-34-30(37)28-22(2)10-15-33-29(28)31/h5-10,14-15,19,23,26H,11-13,16-18,20H2,1-4H3,(H,34,37)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359479
PNG
(CHEMBL1927010)
Show SMILES COc1ccc(cc1)N(Cc1cccc(n1)C#N)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C |r|
Show InChI InChI=1S/C31H37FN6O2/c1-21-18-29(32)35-23(3)30(21)31(39)34-15-12-22(2)37-16-13-27(14-17-37)38(26-8-10-28(40-4)11-9-26)20-25-7-5-6-24(19-33)36-25/h5-11,18,22,27H,12-17,20H2,1-4H3,(H,34,39)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394603
PNG
(CHEMBL2164215)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC1CCOCC1 |r|
Show InChI InChI=1S/C29H41ClN4O3S/c1-20-16-26(30)32-22(3)28(20)29(36)31-10-4-21(2)33-11-5-25(6-12-33)34(18-24-9-15-38-19-24)27(35)17-23-7-13-37-14-8-23/h9,15-16,19,21,23,25H,4-8,10-14,17-18H2,1-3H3,(H,31,36)/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441713
PNG
(CHEMBL2435856)
Show SMILES CCc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C34H40N4O5/c1-2-30-26(10-13-32(35-30)43-29-11-8-25(9-12-29)33(39)40)22-36-18-14-28(15-19-36)38-31(24-6-4-3-5-7-24)23-37(34(38)41)27-16-20-42-21-17-27/h3-13,27-28,31H,2,14-23H2,1H3,(H,39,40)/t31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441705
PNG
(CHEMBL2435864)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccncc2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-9-23(2)37-17-12-27(13-18-37)39-28(26-7-5-4-6-8-26)21-38(32(39)41)20-25-10-14-34-15-11-25/h4-8,10-11,14-15,19,23,27-28H,9,12-13,16-18,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated f...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441725
PNG
(CHEMBL2435909)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H44ClN5O3/c1-22-19-29(33)35-24(3)30(22)31(39)34-14-9-23(2)36-15-10-27(11-16-36)38-28(26-7-5-4-6-8-26)21-37(32(38)40)20-25-12-17-41-18-13-25/h4-8,19,23,25,27-28H,9-18,20-21H2,1-3H3,(H,34,39)/t23?,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated f...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359464
PNG
(CHEMBL1926901)
Show SMILES COCCOc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C#N |r|
Show InChI InChI=1S/C34H44N6O3/c1-24-10-14-36-22-28(24)23-40(30-6-8-32(9-7-30)43-19-18-42-5)31-12-16-39(17-13-31)26(3)11-15-37-34(41)33-25(2)20-29(21-35)38-27(33)4/h6-10,14,20,22,26,31H,11-13,15-19,23H2,1-5H3,(H,37,41)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394597
PNG
(CHEMBL2164201)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC1CCOCC1 |r|
Show InChI InChI=1S/C30H41N5O3S/c1-21-16-26(18-31)33-23(3)29(21)30(37)32-10-4-22(2)34-11-5-27(6-12-34)35(19-25-9-15-39-20-25)28(36)17-24-7-13-38-14-8-24/h9,15-16,20,22,24,27H,4-8,10-14,17,19H2,1-3H3,(H,32,37)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441726
PNG
(CHEMBL2435907)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C31H42ClN5O2/c1-21-19-28(32)34-23(3)29(21)30(38)33-16-13-22(2)35-17-14-26(15-18-35)37-27(24-9-5-4-6-10-24)20-36(31(37)39)25-11-7-8-12-25/h4-6,9-10,19,22,25-27H,7-8,11-18,20H2,1-3H3,(H,33,38)/t22?,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated f...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441727
PNG
(CHEMBL2435845)
Show SMILES Cc1nc(Nc2ccc(cc2)C(O)=O)ncc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C32H37ClN6O4/c1-21-24(18-34-31(35-21)36-26-7-5-22(6-8-26)30(40)41)19-37-13-9-28(10-14-37)39-29(23-3-2-4-25(33)17-23)20-38(32(39)42)27-11-15-43-16-12-27/h2-8,17-18,27-29H,9-16,19-20H2,1H3,(H,40,41)(H,34,35,36)/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441728
PNG
(CHEMBL2435844)
Show SMILES OC(=O)c1ccc(Sc2ncc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3cccc(Cl)c3)cn2)cc1 |r|
Show InChI InChI=1S/C31H34ClN5O4S/c32-24-3-1-2-23(16-24)28-20-36(25-10-14-41-15-11-25)31(40)37(28)26-8-12-35(13-9-26)19-21-17-33-30(34-18-21)42-27-6-4-22(5-7-27)29(38)39/h1-7,16-18,25-26,28H,8-15,19-20H2,(H,38,39)/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441716
PNG
(CHEMBL2434978)
Show SMILES OC(=O)c1ccc(Sc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3ccccc3)cn2)cc1 |r|
Show InChI InChI=1S/C32H36N4O4S/c37-31(38)25-7-9-28(10-8-25)41-30-11-6-23(20-33-30)21-34-16-12-27(13-17-34)36-29(24-4-2-1-3-5-24)22-35(32(36)39)26-14-18-40-19-15-26/h1-11,20,26-27,29H,12-19,21-22H2,(H,37,38)/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50394600
PNG
(CHEMBL2164218)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(C)=O |r|
Show InChI InChI=1S/C24H33ClN4O2S/c1-16-13-22(25)27-18(3)23(16)24(31)26-9-5-17(2)28-10-6-21(7-11-28)29(19(4)30)14-20-8-12-32-15-20/h8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...


ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441726
PNG
(CHEMBL2435907)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C31H42ClN5O2/c1-21-19-28(32)34-23(3)29(21)30(38)33-16-13-22(2)35-17-14-26(15-18-35)37-27(24-9-5-4-6-10-24)20-36(31(37)39)25-11-7-8-12-25/h4-6,9-10,19,22,25-27H,7-8,11-18,20H2,1-3H3,(H,33,38)/t22?,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441711
PNG
(CHEMBL2435912)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccsc1
Show InChI InChI=1S/C30H42ClN5O2S/c1-20-17-27(31)33-22(3)28(20)29(37)32-13-9-21(2)34-14-10-25(11-15-34)36-26(23-12-16-39-19-23)18-35(30(36)38)24-7-5-4-6-8-24/h12,16-17,19,21,24-26H,4-11,13-15,18H2,1-3H3,(H,32,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441694
PNG
(CHEMBL2435859)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(CC2CCCCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C33H46ClN5O2/c1-23-20-30(34)36-25(3)31(23)32(40)35-17-14-24(2)37-18-15-28(16-19-37)39-29(27-12-8-5-9-13-27)22-38(33(39)41)21-26-10-6-4-7-11-26/h5,8-9,12-13,20,24,26,28-29H,4,6-7,10-11,14-19,21-22H2,1-3H3,(H,35,40)/t24?,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50359461
PNG
(CHEMBL1926904)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(OCC(N)=O)cc1 |r|
Show InChI InChI=1S/C33H41N7O3/c1-22-9-13-36-19-26(22)20-40(28-5-7-30(8-6-28)43-21-31(35)41)29-11-15-39(16-12-29)24(3)10-14-37-33(42)32-23(2)17-27(18-34)38-25(32)4/h5-9,13,17,19,24,29H,10-12,14-16,20-21H2,1-4H3,(H2,35,41)(H,37,42)/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.980n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50369468
PNG
(CHEMBL1202231)
Show SMILES C(N1CCNCCc2cccc(CCNCC1)n2)c1ccc(CN2CCNCCc3cccc(CCNCC2)n3)cc1
Show InChI InChI=1S/C34H50N8/c1-3-31-11-15-35-19-23-41(24-20-36-16-12-32(4-1)39-31)27-29-7-9-30(10-8-29)28-42-25-21-37-17-13-33-5-2-6-34(40-33)14-18-38-22-26-42/h1-10,35-38H,11-28H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441705
PNG
(CHEMBL2435864)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccncc2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-9-23(2)37-17-12-27(13-18-37)39-28(26-7-5-4-6-8-26)21-38(32(39)41)20-25-10-14-34-15-11-25/h4-8,10-11,14-15,19,23,27-28H,9,12-13,16-18,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441710
PNG
(CHEMBL2435866)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C34H40ClN5O4/c1-22-19-30(35)37-24(3)31(22)32(41)36-16-13-23(2)38-17-14-28(15-18-38)40-29(26-7-5-4-6-8-26)21-39(34(40)44)20-25-9-11-27(12-10-25)33(42)43/h4-12,19,23,28-29H,13-18,20-21H2,1-3H3,(H,36,41)(H,42,43)/t23?,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 508 total )  |  Next  |  Last  >>
Jump to: