BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'mcglynn' and Initial = 'ma'   
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
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071637
PNG
(CHEMBL79366 | {1-Dimethylcarbamoyl-3-[2-methoxy-4-...)
Show SMILES COc1cc(ccc1Cc1cn(C(=O)N(C)C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C33H36N4O7S/c1-21-9-5-8-12-30(21)45(41,42)35-31(38)23-14-13-22(29(18-23)43-4)17-24-20-37(33(40)36(2)3)28-16-15-25(19-27(24)28)34-32(39)44-26-10-6-7-11-26/h5,8-9,12-16,18-20,26H,6-7,10-11,17H2,1-4H3,(H,34,39)(H,35,38)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071633
PNG
(CHEMBL83166 | [3-[2-Methoxy-4-(toluene-2-sulfonyla...)
Show SMILES COc1cc(ccc1Cc1cn(C(=O)N2CCOCC2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C35H38N4O8S/c1-23-7-3-6-10-32(23)48(43,44)37-33(40)25-12-11-24(31(20-25)45-2)19-26-22-39(35(42)38-15-17-46-18-16-38)30-14-13-27(21-29(26)30)36-34(41)47-28-8-4-5-9-28/h3,6-7,10-14,20-22,28H,4-5,8-9,15-19H2,1-2H3,(H,36,41)(H,37,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071631
PNG
(CHEMBL79952 | [3-[2-Methoxy-4-(toluene-2-sulfonyla...)
Show SMILES COc1cc(ccc1Cc1cn(C(=O)N(C)c2ccccc2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C38H38N4O7S/c1-25-11-7-10-16-35(25)50(46,47)40-36(43)27-18-17-26(34(22-27)48-3)21-28-24-42(38(45)41(2)30-12-5-4-6-13-30)33-20-19-29(23-32(28)33)39-37(44)49-31-14-8-9-15-31/h4-7,10-13,16-20,22-24,31H,8-9,14-15,21H2,1-3H3,(H,39,44)(H,40,43)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071639
PNG
(CHEMBL79741 | [3-[2-Methoxy-4-(toluene-2-sulfonyla...)
Show SMILES COc1cc(ccc1Cc1cn(C(=O)NCCCc2ccccc2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C40H42N4O7S/c1-27-11-6-9-17-37(27)52(48,49)43-38(45)30-19-18-29(36(24-30)50-2)23-31-26-44(39(46)41-22-10-14-28-12-4-3-5-13-28)35-21-20-32(25-34(31)35)42-40(47)51-33-15-7-8-16-33/h3-6,9,11-13,17-21,24-26,33H,7-8,10,14-16,22-23H2,1-2H3,(H,41,46)(H,42,47)(H,43,45)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071632
PNG
(CHEMBL310446 | {1-Diethylcarbamoyl-3-[2-methoxy-4-...)
Show SMILES CCN(CC)C(=O)n1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2C)c2cc(NC(=O)OC3CCCC3)ccc12
Show InChI InChI=1S/C35H40N4O7S/c1-5-38(6-2)35(42)39-22-26(29-21-27(17-18-30(29)39)36-34(41)46-28-12-8-9-13-28)19-24-15-16-25(20-31(24)45-4)33(40)37-47(43,44)32-14-10-7-11-23(32)3/h7,10-11,14-18,20-22,28H,5-6,8-9,12-13,19H2,1-4H3,(H,36,41)(H,37,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071636
PNG
(CHEMBL79479 | {1-(2-Dimethylamino-ethylcarbamoyl)-...)
Show SMILES COc1cc(ccc1Cc1cn(C(=O)NCCN(C)C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C35H41N5O7S/c1-23-9-5-8-12-32(23)48(44,45)38-33(41)25-14-13-24(31(20-25)46-4)19-26-22-40(34(42)36-17-18-39(2)3)30-16-15-27(21-29(26)30)37-35(43)47-28-10-6-7-11-28/h5,8-9,12-16,20-22,28H,6-7,10-11,17-19H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071638
PNG
(CHEMBL311868 | {1-Carbamoyl-3-[2-methoxy-4-(toluen...)
Show SMILES COc1cc(ccc1Cc1cn(C(N)=O)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H32N4O7S/c1-19-7-3-6-10-28(19)43(39,40)34-29(36)21-12-11-20(27(16-21)41-2)15-22-18-35(30(32)37)26-14-13-23(17-25(22)26)33-31(38)42-24-8-4-5-9-24/h3,6-7,10-14,16-18,24H,4-5,8-9,15H2,1-2H3,(H2,32,37)(H,33,38)(H,34,36)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246239
PNG
(CHEMBL487229 | N-methyl-N-(2-((2-(1-oxoisoindolin-...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3C(=O)NCc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)10-26-19-17(22(23,24)25)12-28-21(30-19)29-15-7-8-16-14(9-15)11-27-20(16)32/h3-9,12H,10-11H2,1-2H3,(H,27,32)(H2,26,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246286
PNG
(CHEMBL488247 | N-methyl-N-(2-((2-(4-(methylsulfony...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H22F3N5O4S2/c1-29(35(3,32)33)18-7-5-4-6-14(18)12-25-19-17(21(22,23)24)13-26-20(28-19)27-15-8-10-16(11-9-15)34(2,30)31/h4-11,13H,12H2,1-3H3,(H2,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.940n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246378
PNG
(CHEMBL452341 | N-(2-{[2-(2,2-Dioxo-2,3-dihydro-1H-...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H21F3N6O4S2/c1-30(35(2,31)32)18-6-4-3-5-13(18)10-25-19-16(21(22,23)24)11-26-20(28-19)27-15-7-8-17-14(9-15)12-36(33,34)29-17/h3-9,11,29H,10,12H2,1-2H3,(H2,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071634
PNG
(CHEMBL78140 | {1-Difluoromethyl-3-[2-methoxy-4-(to...)
Show SMILES COc1cc(ccc1Cc1cn(C(F)F)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H31F2N3O6S/c1-19-7-3-6-10-28(19)43(39,40)35-29(37)21-12-11-20(27(16-21)41-2)15-22-18-36(30(32)33)26-14-13-23(17-25(22)26)34-31(38)42-24-8-4-5-9-24/h3,6-7,10-14,16-18,24,30H,4-5,8-9,15H2,1-2H3,(H,34,38)(H,35,37)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071640
PNG
(CHEMBL1048 | N-Dealkylated Derivative | {3-[2-Meth...)
Show SMILES COc1cc(ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C30H31N3O6S/c1-19-7-3-6-10-28(19)40(36,37)33-29(34)21-12-11-20(27(16-21)38-2)15-22-18-31-26-14-13-23(17-25(22)26)32-30(35)39-24-8-4-5-9-24/h3,6-7,10-14,16-18,24,31H,4-5,8-9,15H2,1-2H3,(H,32,35)(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | N-methyl-N-(2-((2-(2...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified activated FAK kinase domain (410-689) using ATP and Glu and Tyr random peptide polymer substrate by fluorescence polarization ...


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071635
PNG
(CHEMBL78141 | {1-Formyl-3-[2-methoxy-4-(toluene-2-...)
Show SMILES COc1cc(ccc1Cc1cn(C=O)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H31N3O7S/c1-20-7-3-6-10-29(20)42(38,39)33-30(36)22-12-11-21(28(16-22)40-2)15-23-18-34(19-35)27-14-13-24(17-26(23)27)32-31(37)41-25-8-4-5-9-25/h3,6-7,10-14,16-19,25H,4-5,8-9,15H2,1-2H3,(H,32,37)(H,33,36)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144428
PNG
(CHEMBL66159 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN
Show InChI InChI=1S/C26H32FN5O3/c1-26(2,27)13-12-18(24(34)32-28)15-23(33)21(14-17-8-4-3-5-9-17)31-25(35)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,33H,12-15,28H2,1-2H3,(H,31,35)(H,32,34)/t18?,21-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | N-methyl-N-(2-((2-(2...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246140
PNG
(CHEMBL513744 | N-methyl-N-(3-((2-(2-oxoindolin-5-y...)
Show SMILES CN(c1cccc(CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)c1)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)16-5-3-4-13(8-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(9-15)10-19(32)29-18/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144400
PNG
(CHEMBL304358 | Quinoxaline-2-carboxylic acid ((1S,...)
Show SMILES CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H32N4O3/c1-17(2)12-13-19(25(27)32)15-24(31)22(14-18-8-4-3-5-9-18)30-26(33)23-16-28-20-10-6-7-11-21(20)29-23/h3-11,16-17,19,22,24,31H,12-15H2,1-2H3,(H2,27,32)(H,30,33)/t19-,22+,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50071641
PNG
(CHEMBL313567 | {1-Diphenylcarbamoyl-3-[2-methoxy-4...)
Show SMILES COc1cc(ccc1Cc1cn(C(=O)N(c2ccccc2)c2ccccc2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C43H40N4O7S/c1-29-13-9-12-20-40(29)55(51,52)45-41(48)31-22-21-30(39(26-31)53-2)25-32-28-46(43(50)47(34-14-5-3-6-15-34)35-16-7-4-8-17-35)38-24-23-33(27-37(32)38)44-42(49)54-36-18-10-11-19-36/h3-9,12-17,20-24,26-28,36H,10-11,18-19,25H2,1-2H3,(H,44,49)(H,45,48)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00442-9
BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246378
PNG
(CHEMBL452341 | N-(2-{[2-(2,2-Dioxo-2,3-dihydro-1H-...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H21F3N6O4S2/c1-30(35(2,31)32)18-6-4-3-5-13(18)10-25-19-16(21(22,23)24)11-26-20(28-19)27-15-7-8-17-14(9-15)12-36(33,34)29-17/h3-9,11,29H,10,12H2,1-2H3,(H2,25,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246239
PNG
(CHEMBL487229 | N-methyl-N-(2-((2-(1-oxoisoindolin-...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3C(=O)NCc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)10-26-19-17(22(23,24)25)12-28-21(30-19)29-15-7-8-16-14(9-15)11-27-20(16)32/h3-9,12H,10-11H2,1-2H3,(H,27,32)(H2,26,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144420
PNG
(CHEMBL68145 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1
Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20?,23-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246330
PNG
(1-{6-[4-((1R,2R)-2-Dimethylamino-cyclopentylamino)...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3C4CCC(N4C(C)=O)c3c2)ncc1C(F)(F)F
Show InChI InChI=1/C24H29F3N6O/c1-13(34)33-19-9-10-20(33)16-11-14(7-8-15(16)19)29-23-28-12-17(24(25,26)27)22(31-23)30-18-5-4-6-21(18)32(2)3/h7-8,11-12,18-21H,4-6,9-10H2,1-3H3,(H2,28,29,30,31)/t18-,19?,20?,21-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144428
PNG
(CHEMBL66159 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN
Show InChI InChI=1S/C26H32FN5O3/c1-26(2,27)13-12-18(24(34)32-28)15-23(33)21(14-17-8-4-3-5-9-17)31-25(35)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,33H,12-15,28H2,1-2H3,(H,31,35)(H,32,34)/t18?,21-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144431
PNG
(CHEMBL303673 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES ONC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C27H30F2N4O4/c28-27(29)12-10-18(11-13-27)19(25(35)33-37)15-24(34)22(14-17-6-2-1-3-7-17)32-26(36)23-16-30-20-8-4-5-9-21(20)31-23/h1-9,16,18-19,22,24,34,37H,10-15H2,(H,32,36)(H,33,35)/t19?,22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144431
PNG
(CHEMBL303673 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES ONC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C27H30F2N4O4/c28-27(29)12-10-18(11-13-27)19(25(35)33-37)15-24(34)22(14-17-6-2-1-3-7-17)32-26(36)23-16-30-20-8-4-5-9-21(20)31-23/h1-9,16,18-19,22,24,34,37H,10-15H2,(H,32,36)(H,33,35)/t19?,22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144420
PNG
(CHEMBL68145 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1
Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20?,23-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144396
PNG
(CHEMBL69375 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1
Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20-,23-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50209006
PNG
(1-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpi...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1NC(=O)NCCN
Show InChI InChI=1S/C24H31ClFN5O3/c1-16-13-31(17(2)12-30(16)14-18-3-6-20(26)7-4-18)23(32)15-34-22-8-5-19(25)11-21(22)29-24(33)28-10-9-27/h3-8,11,16-17H,9-10,12-15,27H2,1-2H3,(H2,28,29,33)/t16-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246187
PNG
(5-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C21H18F3N5O3S/c1-33(31,32)15-4-2-3-12(7-15)10-25-19-16(21(22,23)24)11-26-20(29-19)27-14-5-6-17-13(8-14)9-18(30)28-17/h2-8,11H,9-10H2,1H3,(H,28,30)(H2,25,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144417
PNG
(CHEMBL68366 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H31FN4O3/c1-26(2,27)13-12-18(24(28)33)15-23(32)21(14-17-8-4-3-5-9-17)31-25(34)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,32H,12-15H2,1-2H3,(H2,28,33)(H,31,34)/t18-,21+,23+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1
Show InChI InChI=1/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 by PYK2-LI-COR cellular assay


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50209001
PNG
(4-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpi...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1C(=O)CCC(O)=O
Show InChI InChI=1S/C25H28ClFN2O5/c1-16-13-29(17(2)12-28(16)14-18-3-6-20(27)7-4-18)24(31)15-34-23-9-5-19(26)11-21(23)22(30)8-10-25(32)33/h3-7,9,11,16-17H,8,10,12-15H2,1-2H3,(H,32,33)/t16-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144417
PNG
(CHEMBL68366 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C26H31FN4O3/c1-26(2,27)13-12-18(24(28)33)15-23(32)21(14-17-8-4-3-5-9-17)31-25(34)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,32H,12-15H2,1-2H3,(H2,28,33)(H,31,34)/t18-,21+,23+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246188
PNG
(5-(4-(2-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O3S/c1-33(31,32)17-5-3-2-4-12(17)10-25-19-15(21(22,23)24)11-26-20(29-19)27-14-6-7-16-13(8-14)9-18(30)28-16/h2-8,11H,9-10H2,1H3,(H,28,30)(H2,25,26,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144412
PNG
(CHEMBL69659 | Quinoxaline-2-carboxylic acid [(1S,2...)
Show SMILES CC1CC(CC(C)O1)[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
Show InChI InChI=1S/C28H34N4O4/c1-17-12-20(13-18(2)36-17)21(27(29)34)15-26(33)24(14-19-8-4-3-5-9-19)32-28(35)25-16-30-22-10-6-7-11-23(22)31-25/h3-11,16-18,20-21,24,26,33H,12-15H2,1-2H3,(H2,29,34)(H,32,35)/t17?,18?,20?,21-,24-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246096
PNG
(CHEMBL471526 | N2-(1H-indazol-5-yl)-N4-(pyridin-2-...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C18H14F3N7/c19-18(20,21)14-10-24-17(26-12-4-5-15-11(7-12)8-25-28-15)27-16(14)23-9-13-3-1-2-6-22-13/h1-8,10H,9H2,(H,25,28)(H2,23,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1
Show InChI InChI=1/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 assessed as reduction in peptide substrate phosphoryltion by fluorimetric method


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246189
PNG
(5-(4-(2-(pyrrolidin-1-ylsulfonyl)benzylamino)-5-(t...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C24H23F3N6O3S/c25-24(26,27)18-14-29-23(30-17-7-8-19-16(11-17)12-21(34)31-19)32-22(18)28-13-15-5-1-2-6-20(15)37(35,36)33-9-3-4-10-33/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,31,34)(H2,28,29,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246139
PNG
(5-(4-(pyridin-2-ylmethylamino)-5-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C19H15F3N6O/c20-19(21,22)14-10-25-18(28-17(14)24-9-13-3-1-2-6-23-13)26-12-4-5-15-11(7-12)8-16(29)27-15/h1-7,10H,8-9H2,(H,27,29)(H2,24,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144421
PNG
(CHEMBL302533 | Quinoxaline-2-carboxylic acid [(1S,...)
Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C27H30F2N4O3/c28-27(29)12-10-18(11-13-27)19(25(30)35)15-24(34)22(14-17-6-2-1-3-7-17)33-26(36)23-16-31-20-8-4-5-9-21(20)32-23/h1-9,16,18-19,22,24,34H,10-15H2,(H2,30,35)(H,33,36)/t19?,22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418584
PNG
(CHEMBL2029177)
Show SMILES CNS(=O)(=CC)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1
Show InChI InChI=1/C21H29F3N6OS/c1-5-32(31,25-2)15-11-9-14(10-12-15)27-20-26-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(3)4/h5,9-13,17-18H,6-8H2,1-4H3,(H,25,31)(H2,26,27,28,29)/t17-,18-,32?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 assessed as reduction in peptide substrate phosphoryltion by fluorimetric method


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418580
PNG
(CHEMBL2029182)
Show SMILES CC(C)NS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1
Show InChI InChI=1/C22H31F3N6OS/c1-14(2)30-33(5,32)16-11-9-15(10-12-16)27-21-26-13-17(22(23,24)25)20(29-21)28-18-7-6-8-19(18)31(3)4/h9-14,18-19H,5-8H2,1-4H3,(H,30,32)(H2,26,27,28,29)/t18-,19-,33?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 assessed as reduction in peptide substrate phosphoryltion by fluorimetric method


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144415
PNG
(CHEMBL304845 | Quinoxaline-2-carboxylic acid ((1S,...)
Show SMILES CNC(=O)[C@H](CCC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H34N4O3/c1-18(2)13-14-20(26(33)28-3)16-25(32)23(15-19-9-5-4-6-10-19)31-27(34)24-17-29-21-11-7-8-12-22(21)30-24/h4-12,17-18,20,23,25,32H,13-16H2,1-3H3,(H,28,33)(H,31,34)/t20-,23+,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1
Show InChI InChI=1/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 by PYK2-LI-COR cellular assay


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50209003
PNG
((2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpipe...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1CS(O)(=O)=O
Show InChI InChI=1S/C22H26ClFN2O5S/c1-15-11-26(16(2)10-25(15)12-17-3-6-20(24)7-4-17)22(27)13-31-21-8-5-19(23)9-18(21)14-32(28,29)30/h3-9,15-16H,10-14H2,1-2H3,(H,28,29,30)/t15-,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418584
PNG
(CHEMBL2029177)
Show SMILES CNS(=O)(=CC)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1
Show InChI InChI=1/C21H29F3N6OS/c1-5-32(31,25-2)15-11-9-14(10-12-15)27-20-26-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(3)4/h5,9-13,17-18H,6-8H2,1-4H3,(H,25,31)(H2,26,27,28,29)/t17-,18-,32?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 by PYK2-LI-COR cellular assay


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246284
PNG
(CHEMBL487057 | N4-((1R,2R)-2-Dimethylamino-cyclope...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(CN(C)S3(=O)=O)c2)ncc1C(F)(F)F
Show InChI InChI=1/C20H25F3N6O2S/c1-28(2)16-6-4-5-15(16)26-18-14(20(21,22)23)10-24-19(27-18)25-13-7-8-17-12(9-13)11-29(3)32(17,30)31/h7-10,15-16H,4-6,11H2,1-3H3,(H2,24,25,26,27)/t15-,16-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation


Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144393
PNG
(CHEMBL69274 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCC1
Show InChI InChI=1S/C26H30N4O3/c27-25(32)19(18-10-4-5-11-18)15-24(31)22(14-17-8-2-1-3-9-17)30-26(33)23-16-28-20-12-6-7-13-21(20)29-23/h1-3,6-9,12-13,16,18-19,22,24,31H,4-5,10-11,14-15H2,(H2,27,32)(H,30,33)/t19-,22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1


Bioorg Med Chem Lett 14: 2169-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 192 total )  |  Next  |  Last  >>
Jump to: