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

Found 59 hits with Last Name = 'bazin' and Initial = 'm'   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50360473
PNG
(CHEMBL1934749)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(CO)c(C)c12)-c1c(C)cc(C)cc1C |(51.18,-11.74,;52.51,-10.97,;53.85,-11.74,;55.18,-10.97,;56.51,-11.74,;57.85,-10.97,;57.85,-9.43,;56.51,-13.28,;55.18,-14.06,;55.18,-15.6,;53.85,-16.37,;56.51,-16.36,;57.85,-15.6,;59.31,-16.06,;60.21,-14.82,;61.75,-14.81,;62.51,-13.47,;59.3,-13.58,;59.77,-12.11,;57.84,-14.06,;59.79,-17.52,;61.3,-17.83,;62.32,-16.68,;61.78,-19.29,;60.76,-20.45,;61.24,-21.91,;59.25,-20.13,;58.77,-18.67,;57.26,-18.36,)|
Show InChI InChI=1S/C24H34N4O/c1-8-10-11-27(9-2)23-21-18(6)20(14-29)28(24(21)26-19(7)25-23)22-16(4)12-15(3)13-17(22)5/h12-13,29H,8-11,14H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50360475
PNG
(CHEMBL1934751)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(COC)c(C)c12)-c1c(C)cc(C)cc1C |(10.4,-24.1,;11.73,-23.33,;13.07,-24.1,;14.4,-23.33,;15.73,-24.1,;17.07,-23.33,;17.07,-21.79,;15.73,-25.64,;14.4,-26.41,;14.4,-27.95,;13.07,-28.73,;15.73,-28.72,;17.07,-27.95,;18.53,-28.41,;19.43,-27.17,;20.97,-27.16,;21.73,-25.82,;23.27,-25.81,;18.52,-25.93,;18.99,-24.46,;17.06,-26.41,;19.01,-29.87,;20.52,-30.18,;21.54,-29.03,;21.01,-31.64,;19.98,-32.8,;20.47,-34.26,;18.47,-32.48,;17.99,-31.02,;16.48,-30.71,)|
Show InChI InChI=1S/C25H36N4O/c1-9-11-12-28(10-2)24-22-19(6)21(15-30-8)29(25(22)27-20(7)26-24)23-17(4)13-16(3)14-18(23)5/h13-14H,9-12,15H2,1-8H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)|
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50360474
PNG
(CHEMBL1934750)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C=O)c(C)c12)-c1c(C)cc(C)cc1C |(-9.11,-24.17,;-7.77,-23.4,;-6.44,-24.17,;-5.11,-23.4,;-3.77,-24.17,;-2.44,-23.4,;-2.44,-21.86,;-3.77,-25.71,;-5.1,-26.48,;-5.1,-28.02,;-6.43,-28.8,;-3.77,-28.79,;-2.44,-28.02,;-.97,-28.48,;-.08,-27.24,;1.46,-27.23,;2.22,-25.89,;-.99,-26,;-.52,-24.53,;-2.44,-26.48,;-.49,-29.94,;1.01,-30.25,;2.03,-29.1,;1.5,-31.71,;.47,-32.87,;.96,-34.33,;-1.04,-32.55,;-1.52,-31.09,;-3.03,-30.78,)|
Show InChI InChI=1S/C24H32N4O/c1-8-10-11-27(9-2)23-21-18(6)20(14-29)28(24(21)26-19(7)25-23)22-16(4)12-15(3)13-17(22)5/h12-14H,8-11H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
52n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50360470
PNG
(CHEMBL1934746)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C=O |r,c:18,t:11|
Show InChI InChI=1S/C29H33NO3/c1-4-14-29(33)15-13-26-24-11-7-20-16-22(32)10-12-23(20)27(24)25(17-28(26,29)2)19-5-8-21(9-6-19)30(3)18-31/h5-6,8-9,16,18,24-26,33H,7,10-13,15,17H2,1-3H3/t24-,25+,26-,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374929
PNG
(CHEMBL402364)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1cccc2ccccc12
Show InChI InChI=1S/C23H15N3O3/c27-21-18(12-15-13-24-19-10-4-3-8-16(15)19)22(28)26(23(29)25-21)20-11-5-7-14-6-1-2-9-17(14)20/h1-13,24H,(H,25,27,29)/b18-12-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374925
PNG
(CHEMBL272367)
Show SMILES Cn1cc(\C=C2\C(=O)NC(=O)N(C2=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H17N3O3/c1-26-14-16(18-10-4-5-11-20(18)26)13-19-22(28)25-24(30)27(23(19)29)21-12-6-8-15-7-2-3-9-17(15)21/h2-14H,1H3,(H,25,28,30)/b19-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81848
PNG
(Bipiperidinyl carboxylic acid amide, 20)
Show SMILES CCCCOc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)cc1
Show InChI InChI=1S/C32H46N6O3/c1-3-4-23-41-29-12-10-27(11-13-29)34-32(40)37-17-14-28(15-18-37)38-16-6-8-26(24-38)31(39)36-21-19-35(20-22-36)30-9-5-7-25(2)33-30/h5,7,9-13,26,28H,3-4,6,8,14-24H2,1-2H3,(H,34,40)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374930
PNG
(CHEMBL257458)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H17N3O3/c29-23-20(14-17-15-26-21-12-6-4-10-18(17)21)24(30)28(25(31)27-23)22-13-7-5-11-19(22)16-8-2-1-3-9-16/h1-15,26H,(H,27,29,31)/b20-14-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50360471
PNG
(CHEMBL1934747)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C(=C[C@]12C)c1ccc(cc1)N(C)C |r,c:18,21,t:11|
Show InChI InChI=1S/C29H33NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17-18,24,26,32H,8,11-14,16H2,1-4H3/t24-,26-,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 307n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50360469
PNG
(CHEMBL1934745)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC(=O)C(CCC(O)=O)=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C=O |r,c:18|
Show InChI InChI=1S/C28H33NO5/c1-4-14-28(34)15-13-23-20-9-11-24(31)21(10-12-25(32)33)26(20)22(16-27(23,28)2)18-5-7-19(8-6-18)29(3)17-30/h5-8,17,20,22-23,34H,9-13,15-16H2,1-3H3,(H,32,33)/t20-,22+,23-,27-,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50360472
PNG
(CHEMBL1934748)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@](Cl)(C[C@]12C)c1cc(Cl)c(N(C)C)c(Cl)c1 |r,c:18,t:11|
Show InChI InChI=1S/C29H32Cl3NO2/c1-5-11-28(35)12-10-22-21-8-6-17-13-19(34)7-9-20(17)25(21)29(32,16-27(22,28)2)18-14-23(30)26(33(3)4)24(31)15-18/h13-15,21-22,35H,6-10,12,16H2,1-4H3/t21-,22-,27-,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 771n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374933
PNG
(CHEMBL402647)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H13N3O3/c23-17-15(10-12-11-20-16-9-5-4-8-14(12)16)18(24)22(19(25)21-17)13-6-2-1-3-7-13/h1-11,20H,(H,21,23,25)/b15-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374928
PNG
(CHEMBL404714)
Show SMILES Clc1ccc(cc1)N1C(=O)NC(=O)\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C17H11ClN2O3/c18-12-6-8-13(9-7-12)20-16(22)14(15(21)19-17(20)23)10-11-4-2-1-3-5-11/h1-10H,(H,19,21,23)/b14-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374935
PNG
(CHEMBL271052)
Show SMILES O=C1NC(=O)\C(=C\c2ccco2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C15H10N2O4/c18-13-12(9-11-7-4-8-21-11)14(19)17(15(20)16-13)10-5-2-1-3-6-10/h1-9H,(H,16,18,20)/b12-9-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374927
PNG
(CHEMBL255836)
Show SMILES FC(F)(F)c1ccc(\C=C2\C(=O)NC(=O)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)12-8-6-11(7-9-12)10-14-15(24)22-17(26)23(16(14)25)13-4-2-1-3-5-13/h1-10H,(H,22,24,26)/b14-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374926
PNG
(CHEMBL272366)
Show SMILES Clc1cc(Cl)cc(c1)N1C(=O)NC(=O)\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C17H10Cl2N2O3/c18-11-7-12(19)9-13(8-11)21-16(23)14(15(22)20-17(21)24)6-10-4-2-1-3-5-10/h1-9H,(H,20,22,24)/b14-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374923
PNG
(CHEMBL255561)
Show SMILES O=C1NC(=O)\C(=C\c2ccccc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C17H12N2O3/c20-15-14(11-12-7-3-1-4-8-12)16(21)19(17(22)18-15)13-9-5-2-6-10-13/h1-11H,(H,18,20,22)/b14-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81834
PNG
(Bipiperidinyl carboxylic acid amide, 7)
Show SMILES CC(C)(C)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C26H40ClN5O2/c1-26(2,3)28-25(34)31-13-10-21(11-14-31)32-12-6-7-20(19-32)24(33)30-17-15-29(16-18-30)23-9-5-4-8-22(23)27/h4-5,8-9,20-21H,6-7,10-19H2,1-3H3,(H,28,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81830
PNG
(Bipiperidinyl carboxylic acid amide, 3)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2Cl)c(C)c1
Show InChI InChI=1S/C30H40ClN5O3/c1-22-20-25(39-2)9-10-27(22)32-30(38)35-14-11-24(12-15-35)36-13-5-6-23(21-36)29(37)34-18-16-33(17-19-34)28-8-4-3-7-26(28)31/h3-4,7-10,20,23-24H,5-6,11-19,21H2,1-2H3,(H,32,38)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81837
PNG
(Bipiperidinyl carboxylic acid amide, 1)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C28H43N5O4/c1-3-4-20-37-28(36)29-27(35)32-14-11-24(12-15-32)33-13-7-9-23(21-33)26(34)31-18-16-30(17-19-31)25-10-6-5-8-22(25)2/h5-6,8,10,23-24H,3-4,7,9,11-21H2,1-2H3,(H,29,35,36)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81836
PNG
(Bipiperidinyl carboxylic acid amide, 9)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C27H42N6O4/c1-3-4-19-37-27(36)29-26(35)32-13-10-23(11-14-32)33-12-6-8-22(20-33)25(34)31-17-15-30(16-18-31)24-9-5-7-21(2)28-24/h5,7,9,22-23H,3-4,6,8,10-20H2,1-2H3,(H,29,35,36)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81832
PNG
(Bipiperidinyl carboxylic acid amide, 6)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H43N5O2/c1-21-8-5-6-10-24(21)29-16-18-30(19-17-29)25(33)22-9-7-13-32(20-22)23-11-14-31(15-12-23)26(34)28-27(2,3)4/h5-6,8,10,22-23H,7,9,11-20H2,1-4H3,(H,28,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374934
PNG
(CHEMBL271051)
Show SMILES Cn1cc(\C=C2\C(=O)NC(=O)N(C2=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H15N3O3/c1-22-12-13(15-9-5-6-10-17(15)22)11-16-18(24)21-20(26)23(19(16)25)14-7-3-2-4-8-14/h2-12H,1H3,(H,21,24,26)/b16-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81841
PNG
(Bipiperidinyl carboxylic acid amide, 13)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2C)c1
Show InChI InChI=1S/C31H43N5O2/c1-24-7-5-9-26(21-24)22-32-31(38)35-15-12-28(13-16-35)36-14-6-10-27(23-36)30(37)34-19-17-33(18-20-34)29-11-4-3-8-25(29)2/h3-5,7-9,11,21,27-28H,6,10,12-20,22-23H2,1-2H3,(H,32,38)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81852
PNG
(Bipiperidinyl carboxylic acid amide, 24)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H42N6O2/c1-24-7-5-11-28(32-24)33-19-21-34(22-20-33)29(37)26-10-6-16-36(23-26)27-13-17-35(18-14-27)30(38)31-15-12-25-8-3-2-4-9-25/h2-5,7-9,11,26-27H,6,10,12-23H2,1H3,(H,31,38)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81842
PNG
(Bipiperidinyl carboxylic acid amide, 14)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2Cl)c1
Show InChI InChI=1S/C30H40ClN5O2/c1-23-6-4-7-24(20-23)21-32-30(38)35-14-11-26(12-15-35)36-13-5-8-25(22-36)29(37)34-18-16-33(17-19-34)28-10-3-2-9-27(28)31/h2-4,6-7,9-10,20,25-26H,5,8,11-19,21-22H2,1H3,(H,32,38)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81840
PNG
(Bipiperidinyl carboxylic acid amide, 12)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)c1
Show InChI InChI=1S/C30H42N6O2/c1-23-6-3-8-25(20-23)21-31-30(38)35-14-11-27(12-15-35)36-13-5-9-26(22-36)29(37)34-18-16-33(17-19-34)28-10-4-7-24(2)32-28/h3-4,6-8,10,20,26-27H,5,9,11-19,21-22H2,1-2H3,(H,31,38)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374924
PNG
(CHEMBL406677)
Show SMILES CN1C(=O)N(C(=O)\C(=C/c2c[nH]c3ccccc23)C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H17N3O3/c1-26-22(28)19(13-16-14-25-20-11-5-4-9-17(16)20)23(29)27(24(26)30)21-12-6-8-15-7-2-3-10-18(15)21/h2-14,25H,1H3/b19-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81829
PNG
(Bipiperidinyl carboxylic acid amide, 2)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccc2C)c(C)c1
Show InChI InChI=1S/C31H43N5O3/c1-23-7-4-5-9-29(23)33-17-19-34(20-18-33)30(37)25-8-6-14-36(22-25)26-12-15-35(16-13-26)31(38)32-28-11-10-27(39-3)21-24(28)2/h4-5,7,9-11,21,25-26H,6,8,12-20,22H2,1-3H3,(H,32,38)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81844
PNG
(Bipiperidinyl carboxylic acid amide, 16)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H38N6O2/c1-22-7-5-11-26(29-22)31-17-19-32(20-18-31)27(35)23-8-6-14-34(21-23)25-12-15-33(16-13-25)28(36)30-24-9-3-2-4-10-24/h2-5,7,9-11,23,25H,6,8,12-21H2,1H3,(H,30,36)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81856
PNG
(Bipiperidinyl carboxylic acid amide, 27)
Show SMILES CC(C)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C25H40N6O2/c1-19(2)26-25(33)30-12-9-22(10-13-30)31-11-5-7-21(18-31)24(32)29-16-14-28(15-17-29)23-8-4-6-20(3)27-23/h4,6,8,19,21-22H,5,7,9-18H2,1-3H3,(H,26,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81833
PNG
(Bipiperidinyl carboxylic acid amide, 5)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C26H42N6O2/c1-20-7-5-9-23(27-20)29-15-17-30(18-16-29)24(33)21-8-6-12-32(19-21)22-10-13-31(14-11-22)25(34)28-26(2,3)4/h5,7,9,21-22H,6,8,10-19H2,1-4H3,(H,28,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81850
PNG
(Bipiperidinyl carboxylic acid amide, 22)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)Nc1ccc(C)c(F)c1
Show InChI InChI=1S/C29H39FN6O2/c1-21-8-9-24(19-26(21)30)32-29(38)35-13-10-25(11-14-35)36-12-4-6-23(20-36)28(37)34-17-15-33(16-18-34)27-7-3-5-22(2)31-27/h3,5,7-9,19,23,25H,4,6,10-18,20H2,1-2H3,(H,32,38)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81849
PNG
(Bipiperidinyl carboxylic acid amide, 21)
Show SMILES CC(=O)c1cccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)c1
Show InChI InChI=1S/C30H40N6O3/c1-22-6-3-10-28(31-22)33-16-18-34(19-17-33)29(38)25-8-5-13-36(21-25)27-11-14-35(15-12-27)30(39)32-26-9-4-7-24(20-26)23(2)37/h3-4,6-7,9-10,20,25,27H,5,8,11-19,21H2,1-2H3,(H,32,39)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374936
PNG
(CHEMBL402795)
Show SMILES O=C(\C=C\c1ccccc1)/C=C1/C(=O)NC(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C20H14N2O4/c23-16(12-11-14-7-3-1-4-8-14)13-17-18(24)21-20(26)22(19(17)25)15-9-5-2-6-10-15/h1-13H,(H,21,24,26)/b12-11+,17-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81851
PNG
(Bipiperidinyl carboxylic acid amide, 23)
Show SMILES COC(=O)c1ccccc1NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C30H40N6O4/c1-22-7-5-11-27(31-22)33-17-19-34(20-18-33)28(37)23-8-6-14-36(21-23)24-12-15-35(16-13-24)30(39)32-26-10-4-3-9-25(26)29(38)40-2/h3-5,7,9-11,23-24H,6,8,12-21H2,1-2H3,(H,32,39)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81858
PNG
(Bipiperidinyl carboxylic acid amide, 29)
Show SMILES CCCNC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C25H40N6O2/c1-3-11-26-25(33)30-13-9-22(10-14-30)31-12-5-7-21(19-31)24(32)29-17-15-28(16-18-29)23-8-4-6-20(2)27-23/h4,6,8,21-22H,3,5,7,9-19H2,1-2H3,(H,26,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81857
PNG
(Bipiperidinyl carboxylic acid amide, 28)
Show SMILES CCCCCNC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C27H44N6O2/c1-3-4-5-13-28-27(35)32-15-11-24(12-16-32)33-14-7-9-23(21-33)26(34)31-19-17-30(18-20-31)25-10-6-8-22(2)29-25/h6,8,10,23-24H,3-5,7,9,11-21H2,1-2H3,(H,28,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81855
PNG
(Bipiperidinyl carboxylic acid amide, 26)
Show SMILES CCOC(=O)CCCCCNC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C30H48N6O4/c1-3-40-28(37)12-5-4-6-15-31-30(39)35-17-13-26(14-18-35)36-16-8-10-25(23-36)29(38)34-21-19-33(20-22-34)27-11-7-9-24(2)32-27/h7,9,11,25-26H,3-6,8,10,12-23H2,1-2H3,(H,31,39)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81854
PNG
(Bipiperidinyl carboxylic acid amide, 25)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)NC(C)(C)CC(C)(C)C
Show InChI InChI=1S/C30H50N6O2/c1-23-9-7-11-26(31-23)33-17-19-34(20-18-33)27(37)24-10-8-14-36(21-24)25-12-15-35(16-13-25)28(38)32-30(5,6)22-29(2,3)4/h7,9,11,24-25H,8,10,12-22H2,1-6H3,(H,32,38)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81847
PNG
(Bipiperidinyl carboxylic acid amide, 19)
Show SMILES Cc1cc(C)cc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2cccc(C)n2)c1
Show InChI InChI=1S/C30H42N6O2/c1-22-18-23(2)20-26(19-22)32-30(38)35-12-9-27(10-13-35)36-11-5-7-25(21-36)29(37)34-16-14-33(15-17-34)28-8-4-6-24(3)31-28/h4,6,8,18-20,25,27H,5,7,9-17,21H2,1-3H3,(H,32,38)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81846
PNG
(Bipiperidinyl carboxylic acid amide, 18)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H37F3N6O2/c1-21-4-2-6-26(33-21)35-16-18-36(19-17-35)27(39)22-5-3-13-38(20-22)25-11-14-37(15-12-25)28(40)34-24-9-7-23(8-10-24)29(30,31)32/h2,4,6-10,22,25H,3,5,11-20H2,1H3,(H,34,40)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81859
PNG
(Bipiperidinyl carboxylic acid amide, 30)
Show SMILES CCNC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C24H38N6O2/c1-3-25-24(32)29-12-9-21(10-13-29)30-11-5-7-20(18-30)23(31)28-16-14-27(15-17-28)22-8-4-6-19(2)26-22/h4,6,8,20-21H,3,5,7,9-18H2,1-2H3,(H,25,32)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81843
PNG
(Bipiperidinyl carboxylic acid amide, 15)
Show SMILES Cc1cccc(CNC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C29H40N6O2/c1-23-6-4-7-24(20-23)21-31-29(37)34-14-10-26(11-15-34)35-13-5-8-25(22-35)28(36)33-18-16-32(17-19-33)27-9-2-3-12-30-27/h2-4,6-7,9,12,20,25-26H,5,8,10-11,13-19,21-22H2,1H3,(H,31,37)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81839
PNG
(Bipiperidinyl carboxylic acid amide, 11)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C26H40N6O4/c1-2-3-19-36-26(35)28-25(34)31-13-9-22(10-14-31)32-12-6-7-21(20-32)24(33)30-17-15-29(16-18-30)23-8-4-5-11-27-23/h4-5,8,11,21-22H,2-3,6-7,9-10,12-20H2,1H3,(H,28,34,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81838
PNG
(Bipiperidinyl carboxylic acid amide, 10)
Show SMILES CCCCOC(=O)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C27H40ClN5O4/c1-2-3-19-37-27(36)29-26(35)32-13-10-22(11-14-32)33-12-6-7-21(20-33)25(34)31-17-15-30(16-18-31)24-9-5-4-8-23(24)28/h4-5,8-9,21-22H,2-3,6-7,10-20H2,1H3,(H,29,35,36)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81835
PNG
(Bipiperidinyl carboxylic acid amide, 8)
Show SMILES CC(C)(C)NC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H40N6O2/c1-25(2,3)27-24(33)30-13-9-21(10-14-30)31-12-6-7-20(19-31)23(32)29-17-15-28(16-18-29)22-8-4-5-11-26-22/h4-5,8,11,20-21H,6-7,9-10,12-19H2,1-3H3,(H,27,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM81831
PNG
(Bipiperidinyl carboxylic acid amide, 4)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)N2CCCC(C2)C(=O)N2CCN(CC2)c2ccccn2)c(C)c1
Show InChI InChI=1S/C29H40N6O3/c1-22-20-25(38-2)8-9-26(22)31-29(37)34-14-10-24(11-15-34)35-13-5-6-23(21-35)28(36)33-18-16-32(17-19-33)27-7-3-4-12-30-27/h3-4,7-9,12,20,23-24H,5-6,10-11,13-19,21H2,1-2H3,(H,31,37)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Cell-based assay for CCR4 was developed to screen small-molecule compound library using a Fluorometric Imaging Plate Reader (FlIPR) assay to identify...


Chem Biol Drug Des 70: 268-72 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00551.x
BindingDB Entry DOI: 10.7270/Q2K35S44
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 59 total )  |  Next  |  Last  >>
Jump to: