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

Found 217 hits with Last Name = 'nugent' and Initial = 'ra'   
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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50227631
PNG
(2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...)
Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
BindingDB Entry DOI: 10.7270/Q2Z3210H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7163
PNG
(3-Phenylacetamidoaminopyrazole deriv. 40 | CS10 | ...)
Show SMILES O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50168761
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C33H29ClFNO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
BindingDB Entry DOI: 10.7270/Q2Z3210H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7159
PNG
(3-Phenylacetamidoaminopyrazole deriv. 36 | N-(5-Cy...)
Show SMILES Fc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C20H18FN3O/c21-17-3-1-2-16(11-17)14-6-4-13(5-7-14)10-20(25)22-19-12-18(23-24-19)15-8-9-15/h1-7,11-12,15H,8-10H2,(H2,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7162
PNG
(3-Phenylacetamidoaminopyrazole deriv. 39 | 4 -{2-[...)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C21H20N4O2/c22-21(27)17-9-5-15(6-10-17)14-3-1-13(2-4-14)11-20(26)23-19-12-18(24-25-19)16-7-8-16/h1-6,9-10,12,16H,7-8,11H2,(H2,22,27)(H2,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7160
PNG
(3-Phenylacetamidoaminopyrazole deriv. 37 | N-(5-Cy...)
Show SMILES Cc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C21H21N3O/c1-14-3-2-4-18(11-14)16-7-5-15(6-8-16)12-21(25)22-20-13-19(23-24-20)17-9-10-17/h2-8,11,13,17H,9-10,12H2,1H3,(H2,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7161
PNG
(3-Phenylacetamidoaminopyrazole deriv. 38 | 4 -{2-[...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C21H19N3O3/c25-20(22-19-12-18(23-24-19)16-7-8-16)11-13-1-3-14(4-2-13)15-5-9-17(10-6-15)21(26)27/h1-6,9-10,12,16H,7-8,11H2,(H,26,27)(H2,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7121
PNG
(3-Aminopyrazole deriv. 36 | N-(5-Cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCS1(=O)=O
Show InChI InChI=1S/C18H22N4O3S/c1-12(18(23)19-17-11-16(20-21-17)14-3-4-14)13-5-7-15(8-6-13)22-9-2-10-26(22,24)25/h5-8,11-12,14H,2-4,9-10H2,1H3,(H2,19,20,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/a7.422



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066924
PNG
(6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsu...)
Show SMILES Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1
Show InChI InChI=1S/C12H9Cl2N3O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)
PDB
MMDB

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

Patents

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



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
BindingDB Entry DOI: 10.7270/Q2JS9PKT
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26740
PNG
(N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16.2n/an/an/an/a7.430



Pfizer



Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against E233V mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
BindingDB Entry DOI: 10.7270/Q2Z3210H
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against P236L mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064009
PNG
(6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...)
Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
PDB
MMDB

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

Patents

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



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against P236L mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064009
PNG
(6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...)
Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
PDB
MMDB

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

Patents

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



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064008
PNG
(6-Chloro-2-((R)-1-furo[2,3-c]pyridin-5-yl-ethylsul...)
Show SMILES C[C@@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m1/s1
PDB
MMDB

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

Patents

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against P236L mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLAP (unknown origin)


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
BindingDB Entry DOI: 10.7270/Q2Z3210H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7155
PNG
(3-Phenylacetamidoaminopyrazole deriv. 32 | CHEMBL1...)
Show SMILES COc1cccc(CC(=O)Nc2cc(n[nH]2)C2CC2)c1
Show InChI InChI=1S/C15H17N3O2/c1-20-12-4-2-3-10(7-12)8-15(19)16-14-9-13(17-18-14)11-5-6-11/h2-4,7,9,11H,5-6,8H2,1H3,(H2,16,17,18,19)
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 29n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50166407
PNG
((Z)-2-Benzoylamino-3-[4-(2-bromo-6-fluoro-phenoxy)...)
Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2c(F)cccc2Br)cc1
Show InChI InChI=1S/C22H15BrFNO4/c23-17-7-4-8-18(24)20(17)29-16-11-9-14(10-12-16)13-19(22(27)28)25-21(26)15-5-2-1-3-6-15/h1-13H,(H,25,26)(H,27,28)/b19-13-
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hepatitis C virus NS5B polymerase


Bioorg Med Chem Lett 15: 2481-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.066
BindingDB Entry DOI: 10.7270/Q2VH5NC7
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26741
PNG
(N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 33n/an/an/an/a7.430



Pfizer



Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7128
PNG
(3-Benzamidoaminopyrazole deriv. 5 | 4-bromo-N-(5-c...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C13H12BrN3O/c14-10-5-3-9(4-6-10)13(18)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H2,15,16,17,18)
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 34n/an/an/an/a7.422



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425317
PNG
(CHEMBL2315856)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1COc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
BindingDB Entry DOI: 10.7270/Q2Z3210H
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
BindingDB Entry DOI: 10.7270/Q2Z3210H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7165
PNG
(3-Phenylacetamidoaminopyrazole deriv. 42 | N-(5-Cy...)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)13-8-9-13)10-14-6-3-5-12-4-1-2-7-15(12)14/h1-7,11,13H,8-10H2,(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against L100I mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50166360
PNG
((Z)-2-Benzoylamino-3-[4-(2-iodo-phenoxy)-phenyl]-a...)
Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2ccccc2I)cc1
Show InChI InChI=1S/C22H16INO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hepatitis C virus NS5B polymerase


Bioorg Med Chem Lett 15: 2481-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.066
BindingDB Entry DOI: 10.7270/Q2VH5NC7
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425315
PNG
(CHEMBL2315854)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
BindingDB Entry DOI: 10.7270/Q2Z3210H
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425320
PNG
(CHEMBL2315857)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@@H]1COc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
BindingDB Entry DOI: 10.7270/Q2Z3210H
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064009
PNG
(6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...)
Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
PDB
MMDB

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

Patents

PDB
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against L100I mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064009
PNG
(6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...)
Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
PDB
MMDB

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

Patents

PDB
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against E233V mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7153
PNG
(3-Phenylacetamidoaminopyrazole deriv. 30 | CHEMBL1...)
Show SMILES O=C(Cc1ccccc1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H15N3O/c18-14(8-10-4-2-1-3-5-10)15-13-9-12(16-17-13)11-6-7-11/h1-5,9,11H,6-8H2,(H2,15,16,17,18)
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 48n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066930
PNG
(6-Chloro-2-(3-methyl-benzylsulfanyl)-pyrimidin-4-y...)
Show SMILES Cc1cccc(CSc2nc(N)cc(Cl)n2)c1
Show InChI InChI=1S/C12H12ClN3S/c1-8-3-2-4-9(5-8)7-17-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)
PDB
MMDB

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

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
BindingDB Entry DOI: 10.7270/Q2JS9PKT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066931
PNG
((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...)
Show SMILES CCN(CC)C(=O)\C=C\CSc1nc(N)cc(Cl)n1
Show InChI InChI=1S/C12H17ClN4OS/c1-3-17(4-2)11(18)6-5-7-19-12-15-9(13)8-10(14)16-12/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)/b6-5+
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
BindingDB Entry DOI: 10.7270/Q2JS9PKT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7143
PNG
(3-Benzamidoaminopyrazole deriv. 20 | 4-bromo-N-(5-...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCC1
Show InChI InChI=1S/C15H16BrN3O/c16-12-7-5-11(6-8-12)15(20)17-14-9-13(18-19-14)10-3-1-2-4-10/h5-10H,1-4H2,(H2,17,18,19,20)
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 50n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26740
PNG
(N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51.9n/an/an/an/a7.430



Pfizer



Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064009
PNG
(6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...)
Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
PDB
MMDB

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

Patents

PDB
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against Y188H mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7158
PNG
(2-(1,1 -Biphenyl-4-yl)-N-(5-cyclopropyl-1H-pyrazol...)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C20H19N3O/c24-20(21-19-13-18(22-23-19)17-10-11-17)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,13,17H,10-12H2,(H2,21,22,23,24)
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 56n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066931
PNG
((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...)
Show SMILES CCN(CC)C(=O)\C=C\CSc1nc(N)cc(Cl)n1
Show InChI InChI=1S/C12H17ClN4OS/c1-3-17(4-2)11(18)6-5-7-19-12-15-9(13)8-10(14)16-12/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)/b6-5+
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
BindingDB Entry DOI: 10.7270/Q2JS9PKT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066932
PNG
(6-Chloro-2-(3,4-dichloro-benzylsulfanyl)-pyrimidin...)
Show SMILES Nc1cc(Cl)nc(SCc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C11H8Cl3N3S/c12-7-2-1-6(3-8(7)13)5-18-11-16-9(14)4-10(15)17-11/h1-4H,5H2,(H2,15,16,17)
PDB
MMDB

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

Patents

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
BindingDB Entry DOI: 10.7270/Q2JS9PKT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7157
PNG
(3-Phenylacetamidoaminopyrazole deriv. 34 | CHEMBL1...)
Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7132
PNG
(1-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzene-1,4-dic...)
Show SMILES NC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H14N4O2/c15-13(19)9-3-5-10(6-4-9)14(20)16-12-7-11(17-18-12)8-1-2-8/h3-8H,1-2H2,(H2,15,19)(H2,16,17,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/a7.422



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066937
PNG
((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...)
Show SMILES CN(C)C(=O)\C=C\CSc1nc(N)cc(Cl)n1
Show InChI InChI=1S/C10H13ClN4OS/c1-15(2)9(16)4-3-5-17-10-13-7(11)6-8(12)14-10/h3-4,6H,5H2,1-2H3,(H2,12,13,14)/b4-3+
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
BindingDB Entry DOI: 10.7270/Q2JS9PKT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066934
PNG
(6-Chloro-2-((E)-3-phenyl-allylsulfanyl)-pyrimidin-...)
Show SMILES Nc1cc(Cl)nc(SC\C=C\c2ccccc2)n1
Show InChI InChI=1S/C13H12ClN3S/c14-11-9-12(15)17-13(16-11)18-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H2,15,16,17)/b7-4+
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
BindingDB Entry DOI: 10.7270/Q2JS9PKT
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50166374
PNG
((Z)-2-Benzoylamino-3-[4-(2-chloro-6-fluoro-phenoxy...)
Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2c(F)cccc2Cl)cc1
Show InChI InChI=1S/C22H15ClFNO4/c23-17-7-4-8-18(24)20(17)29-16-11-9-14(10-12-16)13-19(22(27)28)25-21(26)15-5-2-1-3-6-15/h1-13H,(H,25,26)(H,27,28)/b19-13-
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hepatitis C virus NS5B polymerase


Bioorg Med Chem Lett 15: 2481-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.066
BindingDB Entry DOI: 10.7270/Q2VH5NC7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7154
PNG
(3-Phenylacetamidoaminopyrazole deriv. 31 | 4-{2-[(...)
Show SMILES NC(=O)c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C15H16N4O2/c16-15(21)11-3-1-9(2-4-11)7-14(20)17-13-8-12(18-19-13)10-5-6-10/h1-4,8,10H,5-7H2,(H2,16,21)(H2,17,18,19,20)
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 74n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against Y188H mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7123
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrol...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1 |r|
Show InChI InChI=1S/C19H24N4O/c1-13(14-6-8-16(9-7-14)23-10-2-3-11-23)19(24)20-18-12-17(21-22-18)15-4-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,20,21,22,24)/t13-/m0/s1
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 80n/an/an/an/a7.422



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425316
PNG
(CHEMBL2315855)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
BindingDB Entry DOI: 10.7270/Q2Z3210H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7141
PNG
(3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benz...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C13H11Cl2N3O/c14-9-4-3-8(5-10(9)15)13(19)16-12-6-11(17-18-12)7-1-2-7/h3-7H,1-2H2,(H2,16,17,18,19)
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 83n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 217 total )  |  Next  |  Last  >>
Jump to: