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

Found 310 hits with Last Name = 'bogucki' 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
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.2 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50169425
PNG
(CHEMBL3341983 | US9481677, 44)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 channel in mouse CAD cells by whole-cell patch clamp assay


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

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



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

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



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta3 at -150 mV by manual voltage c...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169425
PNG
(CHEMBL3341983 | US9481677, 44)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 0.400n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169425
PNG
(CHEMBL3341983 | US9481677, 44)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 0.400n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta3 at -150 mV by manual voltage c...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169426
PNG
(CHEMBL3806065 | US9481677, 69)
Show SMILES CNc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C22H14ClF2N5O4S2/c1-26-21-14-6-11(2-4-18(14)34-29-21)13-7-12(23)3-5-17(13)33-19-8-16(25)20(9-15(19)24)36(31,32)30-22-27-10-28-35-22/h2-10H,1H3,(H,26,29)(H,27,28,30)
PDB

KEGG

UniProtKB/SwissProt

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



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
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))
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
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.6 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
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))
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))
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))
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))
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))
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))
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))
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
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441718
PNG
(CHEMBL2435858)
Show SMILES Cc1nc(Oc2ccc(cc2)C(N)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C33H39N5O4/c1-23-26(9-12-31(35-23)42-29-10-7-25(8-11-29)32(34)39)21-36-17-13-28(14-18-36)38-30(24-5-3-2-4-6-24)22-37(33(38)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H2,34,39)/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/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))
BDBM50441724
PNG
(CHEMBL2435854)
Show SMILES Cc1cccc(c1)[C@@H]1CN(C2CCOCC2)C(=O)N1C1CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)nc2C)CC1 |r|
Show InChI InChI=1S/C34H40N4O5/c1-23-4-3-5-26(20-23)31-22-37(28-14-18-42-19-15-28)34(41)38(31)29-12-16-36(17-13-29)21-27-8-11-32(35-24(27)2)43-30-9-6-25(7-10-30)33(39)40/h3-11,20,28-29,31H,12-19,21-22H2,1-2H3,(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 1.10n/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))
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 1.10n/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))
BDBM50441691
PNG
(CHEMBL2435860)
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/C33H40ClN5O2/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/h4-13,20,24,28-29H,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 1.20n/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))
BDBM50441693
PNG
(CHEMBL2435862)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cnccc2C)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C33H41ClN6O2/c1-22-10-14-35-19-27(22)20-39-21-29(26-8-6-5-7-9-26)40(33(39)42)28-12-16-38(17-13-28)24(3)11-15-36-32(41)31-23(2)18-30(34)37-25(31)4/h5-10,14,18-19,24,28-29H,11-13,15-17,20-21H2,1-4H3,(H,36,41)/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 1.20n/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))
BDBM50441720
PNG
(CHEMBL2435885)
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+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/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))
BDBM50441723
PNG
(CHEMBL2435851)
Show SMILES OC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3cccc(Cl)c3)cn2)cc1 |r|
Show InChI InChI=1S/C32H35ClN4O5/c33-25-3-1-2-24(18-25)29-21-36(26-12-16-41-17-13-26)32(40)37(29)27-10-14-35(15-11-27)20-22-4-9-30(34-19-22)42-28-7-5-23(6-8-28)31(38)39/h1-9,18-19,26-27,29H,10-17,20-21H2,(H,38,39)/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/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))
BDBM50441722
PNG
(CHEMBL2435843)
Show SMILES CNC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3ccccc3)c(C)n2)cc1 |r|
Show InChI InChI=1S/C34H41N5O4/c1-24-27(10-13-32(36-24)43-30-11-8-26(9-12-30)33(40)35-2)22-37-18-14-29(15-19-37)39-31(25-6-4-3-5-7-25)23-38(34(39)41)28-16-20-42-21-17-28/h3-13,28-29,31H,14-23H2,1-2H3,(H,35,40)/t31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/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))
BDBM50441691
PNG
(CHEMBL2435860)
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/C33H40ClN5O2/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/h4-13,20,24,28-29H,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 1.30n/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-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333890
PNG
(CHEMBL1644092 | N-((1H-benzo[d]imidazol-2-yl)methy...)
Show SMILES NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C22H24N6O/c23-11-18-20(29-14-25-18)12-28(13-21-26-16-7-1-2-8-17(16)27-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,14,19H,3,5,9,11-13,23H2,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441717
PNG
(CHEMBL2435852)
Show SMILES Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C33H38N4O5/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 1.40n/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))
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 1.5n/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))
BDBM50441721
PNG
(CHEMBL2435855)
Show SMILES Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C33H37FN4O5/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 1.5n/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))
BDBM50441720
PNG
(CHEMBL2435885)
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+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/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))
BDBM50441693
PNG
(CHEMBL2435862)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cnccc2C)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C33H41ClN6O2/c1-22-10-14-35-19-27(22)20-39-21-29(26-8-6-5-7-9-26)40(33(39)42)28-12-16-38(17-13-28)24(3)11-15-36-32(41)31-23(2)18-30(34)37-25(31)4/h5-10,14,18-19,24,28-29H,11-13,15-17,20-21H2,1-4H3,(H,36,41)/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 1.70n/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))
BDBM50441712
PNG
(CHEMBL2435906)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169434
PNG
(CHEMBL3805837 | US9481677, 80)
Show SMILES Nc1noc2ccc(cc12)-c1cc(F)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12F3N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169432
PNG
(CHEMBL3805973 | US9481677, 48)
Show SMILES Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1ccc2[nH]c(=O)[nH]c2c1)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)28-20(30)27-15)33-18-7-14(24)19(8-13(18)23)35(31,32)29-21-25-9-26-34-21/h1-9H,(H,25,26,29)(H2,27,28,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169431
PNG
(CHEMBL3805722 | US9481677, 73)
Show SMILES Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1ccc2[nH]cnc2c1)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O3S2/c22-12-2-4-18(13(6-12)11-1-3-16-17(5-11)26-9-25-16)32-19-7-15(24)20(8-14(19)23)34(30,31)29-21-27-10-28-33-21/h1-10H,(H,25,26)(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441703
PNG
(CHEMBL2435847)
Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C33H46N6O2/c1-24-30(25(2)35-23-34-24)31(40)36-20-16-33(3,17-21-36)37-18-14-28(15-19-37)39-29(26-10-6-4-7-11-26)22-38(32(39)41)27-12-8-5-9-13-27/h4,6-7,10-11,23,27-29H,5,8-9,12-22H2,1-3H3/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/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 1.80n/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))
BDBM50441712
PNG
(CHEMBL2435906)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/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))
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 2.40n/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))
BDBM50441704
PNG
(CHEMBL2435892)
Show SMILES CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C31H43ClN6O2/c1-21(12-15-33-30(39)29-22(2)34-20-35-23(29)3)36-16-13-27(14-17-36)38-28(24-8-7-9-25(32)18-24)19-37(31(38)40)26-10-5-4-6-11-26/h7-9,18,20-21,26-28H,4-6,10-17,19H2,1-3H3,(H,33,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/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))
BDBM50441702
PNG
(CHEMBL2435861)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccccn2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-12-23(2)37-17-13-27(14-18-37)39-28(25-9-5-4-6-10-25)21-38(32(39)41)20-26-11-7-8-15-34-26/h4-11,15,19,23,27-28H,12-14,16-18,20-21H2,1-3H3,(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 2.90n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169433
PNG
(CHEMBL3805201 | US9481677, 58)
Show SMILES Nc1noc2ccc(cc12)-c1ccccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13F2N5O4S2/c22-14-9-19(34(29,30)28-21-25-10-26-33-21)15(23)8-18(14)31-16-4-2-1-3-12(16)11-5-6-17-13(7-11)20(24)27-32-17/h1-10H,(H2,24,27)(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 310 total )  |  Next  |  Last  >>
Jump to: