BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 68 hits from Central University of Punjab   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50188235
PNG
(CHEMBL3827021)
Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCCCCCCC3C(=O)Oc2c1
Show InChI InChI=1/C19H27NO5S/c20-26(22,23)25-14-11-12-16-15-9-7-5-3-1-2-4-6-8-10-17(15)19(21)24-18(16)13-14/h11-13,15,17H,1-10H2,(H2,20,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of placental sulphatase (unknown origin)


Eur J Med Chem 119: 141-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.087
BindingDB Entry DOI: 10.7270/Q29Z96V5
More data for this
Ligand-Target Pair
CDK2/Cyclin O


(Homo sapiens (Human))
BDBM50468264
PNG
(CHEMBL4292930)
Show SMILES Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO
Show InChI InChI=1S/C20H26N6O2/c1-15-12-22-26-18(21-13-16-5-4-8-24(28)14-16)11-19(23-20(15)26)25-9-3-2-6-17(25)7-10-27/h4-5,8,11-12,14,17,21,27H,2-3,6-7,9-10,13H2,1H3/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK2 (unknown origin) expressed in Sf9 cells using histone H1 derived biotinylated peptide and 33P-ATP incubated for 1 hr b...


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent-like kinase 5


(Homo sapiens (Human))
BDBM50468264
PNG
(CHEMBL4292930)
Show SMILES Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO
Show InChI InChI=1S/C20H26N6O2/c1-15-12-22-26-18(21-13-16-5-4-8-24(28)14-16)11-19(23-20(15)26)25-9-3-2-6-17(25)7-10-27/h4-5,8,11-12,14,17,21,27H,2-3,6-7,9-10,13H2,1H3/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5 (unknown origin) expressed in Sf9 cells using histone H1 derived biotinylated peptide and 33P-ATP incubated for 1 hr b...


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50110183
PNG
(ABEMACICLIB | Abemaciclib | LY-2835219)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

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



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

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



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50468264
PNG
(CHEMBL4292930)
Show SMILES Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO
Show InChI InChI=1S/C20H26N6O2/c1-15-12-22-26-18(21-13-16-5-4-8-24(28)14-16)11-19(23-20(15)26)25-9-3-2-6-17(25)7-10-27/h4-5,8,11-12,14,17,21,27H,2-3,6-7,9-10,13H2,1H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 3n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK1 (unknown origin) expressed in Sf9 cells using histone H1 derived biotinylated peptide and 33P-ATP incubated for 1 hr b...


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50468264
PNG
(CHEMBL4292930)
Show SMILES Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO
Show InChI InChI=1S/C20H26N6O2/c1-15-12-22-26-18(21-13-16-5-4-8-24(28)14-16)11-19(23-20(15)26)25-9-3-2-6-17(25)7-10-27/h4-5,8,11-12,14,17,21,27H,2-3,6-7,9-10,13H2,1H3/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK9 (unknown origin) expressed in Sf9 cells using histone H1 derived biotinylated peptide and 33P-ATP incubated for 1 hr b...


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/a 6n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50468265
PNG
(CHEMBL4282338)
Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)[S@](=N)(=O)C2CC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 7n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
CDK2/Cyclin O


(Homo sapiens (Human))
BDBM50468265
PNG
(CHEMBL4282338)
Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)[S@](=N)(=O)C2CC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 9n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50110183
PNG
(ABEMACICLIB | Abemaciclib | LY-2835219)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

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



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50113281
PNG
(AT-7519)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PubMed
n/an/a 11n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
PubMed
n/an/a 16n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
PubMed
n/an/a 20n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PubMed
n/an/a 30n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294178
PNG
(CHEMBL4160682)
Show SMILES Cc1cc(C)c2nc([nH]c2c1)-c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C24H21N3/c1-16-12-17(2)23-20(13-16)25-24(26-23)22-14-19-10-6-7-11-21(19)27(22)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 33n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
CDK2/Cyclin O


(Homo sapiens (Human))
BDBM31545
PNG
(Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...)
Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/a 45n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin O


(Homo sapiens (Human))
BDBM50113281
PNG
(AT-7519)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 47n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294174
PNG
(CHEMBL4170939)
Show SMILES O=C(c1ccccc1)c1ccc2[nH]c(nc2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H13N3O/c26-21(14-6-2-1-3-7-14)16-10-11-18-19(13-16)25-22(24-18)20-12-15-8-4-5-9-17(15)23-20/h1-13H/b22-20-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 47n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
CDK2/Cyclin O


(Homo sapiens (Human))
BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 48n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM9475
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal aromatase using testosterone as substrate


Eur J Med Chem 119: 141-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.087
BindingDB Entry DOI: 10.7270/Q29Z96V5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294181
PNG
(CHEMBL4169456)
Show SMILES Brc1ccc2[nH]c(nc2c1)-c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H16BrN3/c23-17-10-11-18-19(13-17)25-22(24-18)21-12-16-8-4-5-9-20(16)26(21)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 74n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294182
PNG
(CHEMBL4161120)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)-c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H15Cl2N3/c23-16-11-18-19(12-17(16)24)26-22(25-18)21-10-15-8-4-5-9-20(15)27(21)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 77n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294175
PNG
(CHEMBL4167567)
Show SMILES Brc1ccc2[nH]c(nc2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H8BrN3/c16-10-5-6-12-13(8-10)19-15(18-12)14-7-9-3-1-2-4-11(9)17-14/h1-8H/b15-14-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 80n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50180683
PNG
(CHEMBL3818720)
Show SMILES COc1ccc2c(Cc3ccccc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H17ClO3/c1-26-18-11-12-19-20(13-15-5-3-2-4-6-15)22(23(25)27-21(19)14-18)16-7-9-17(24)10-8-16/h2-12,14H,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human MCF7 cells using [1beta-3H]androstenedione as substrate measured after 1 hr by liquid scintillation counting method


Eur J Med Chem 119: 141-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.087
BindingDB Entry DOI: 10.7270/Q29Z96V5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50436204
PNG
(CHEMBL109037)
Show SMILES NC(Cc1cc(O)c(O)cc1O)C(O)=O
Show InChI InChI=1/C9H11NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11-13H,1,10H2,(H,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of human APE1 after 25 mins by fluorescence assay


J Med Chem 57: 10241-56 (2014)


Article DOI: 10.1021/jm500865u
BindingDB Entry DOI: 10.7270/Q2XW4MD9
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent-like kinase 5


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 160n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin O


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 170n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294185
PNG
(CHEMBL4168369)
Show SMILES Cc1cccc2[nH]c(nc12)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H11N3/c1-10-5-4-8-13-15(10)19-16(18-13)14-9-11-6-2-3-7-12(11)17-14/h2-9H,1H3/b16-14-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 192n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294176
PNG
(CHEMBL4164124)
Show SMILES c1c([nH]c2ccccc12)-c1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C19H13N3/c1-2-8-14-13(5-1)11-17(20-14)19-21-15-9-3-6-12-7-4-10-16(22-19)18(12)15/h1-11,20H,(H,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 202n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294179
PNG
(CHEMBL4168602)
Show SMILES C(c1ccccc1)n1c(cc2ccccc12)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17N3/c1-2-8-16(9-3-1)15-25-20-13-7-4-10-17(20)14-21(25)22-23-18-11-5-6-12-19(18)24-22/h1-14H,15H2,(H,23,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 259n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294180
PNG
(CHEMBL4164944)
Show SMILES Brc1cnc2[nH]c(nc2c1)-c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H15BrN4/c22-16-11-17-20(23-12-16)25-21(24-17)19-10-15-8-4-5-9-18(15)26(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 300n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50188234
PNG
(CHEMBL269221)
Show SMILES Cc1cc(=O)oc2ccc(OS(N)(=O)=O)cc12
Show InChI InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-3-2-7(5-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of sulphatase in human MCF7 cells assessed as inhibition of E1-STS activity


Eur J Med Chem 119: 141-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.087
BindingDB Entry DOI: 10.7270/Q29Z96V5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM168383
PNG
(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)
Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
Show InChI InChI=1/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 385n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294177
PNG
(CHEMBL4170073)
Show SMILES Cc1cccc2[nH]c(nc12)-c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C23H19N3/c1-16-8-7-12-19-22(16)25-23(24-19)21-14-18-11-5-6-13-20(18)26(21)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 387n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50294183
PNG
(CHEMBL4171721)
Show SMILES BrC1=CN2NC(=NC2N=C1)c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C20H16BrN5/c21-16-11-22-20-23-19(24-26(20)13-16)18-10-15-8-4-5-9-17(15)25(18)12-14-6-2-1-3-7-14/h1-11,13,20H,12H2,(H,23,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 539n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)

More data for this
Ligand-Target Pair
CDK2/Cyclin O


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 700n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) preincubated for 10 mins in presence of NADPH generating system followed by addition of dibenzylfluorescein ...


Eur J Med Chem 119: 141-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.087
BindingDB Entry DOI: 10.7270/Q29Z96V5
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50030281
PNG
(CHEMBL1870764)
Show SMILES OC(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1
Show InChI InChI=1S/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of human APE1 after 25 mins by fluorescence assay


J Med Chem 57: 10241-56 (2014)


Article DOI: 10.1021/jm500865u
BindingDB Entry DOI: 10.7270/Q2XW4MD9
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50030282
PNG
(CHEBI:51052 | LUCANTHONE | Lucanthone)
Show SMILES CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12
Show InChI InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of human APE1 after 25 mins by fluorescence assay


J Med Chem 57: 10241-56 (2014)


Article DOI: 10.1021/jm500865u
BindingDB Entry DOI: 10.7270/Q2XW4MD9
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human MCF7 cells using [1beta-3H]androstenedione as substrate measured after 1 hr by liquid scintillation counting method


Eur J Med Chem 119: 141-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.087
BindingDB Entry DOI: 10.7270/Q29Z96V5
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM120842
PNG
(2,4‐dichloro‐6‐{2‐phenyl&#...)
Show SMILES Oc1c(Cl)cc(Cl)cc1C1Nc2ccccc2-c2cc(nn12)-c1ccccc1
Show InChI InChI=1/C22H15Cl2N3O/c23-14-10-16(21(28)17(24)11-14)22-25-18-9-5-4-8-15(18)20-12-19(26-27(20)22)13-6-2-1-3-7-13/h1-12,22,25,28H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/a7.525



Central University of Punjab



Assay Description
The reaction mixture contained 1.5 mL of 50 mM potassium phosphate buffer (pH 7.5), 1 mL test sample solutions (5, 10, 25, 50, and 100 µM) was d...


Bioorg Chem 57: 57-64 (2014)


Article DOI: 10.1016/j.bioorg.2014.08.007
BindingDB Entry DOI: 10.7270/Q22Z146M
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM92557
PNG
(Neoflavonoid, 9)
Show SMILES COc1cc(cc(OC)c1OC(C)=O)C1CC(=O)Oc2cc3OCOc3cc12
Show InChI InChI=1/C20H18O8/c1-10(21)27-20-17(23-2)4-11(5-18(20)24-3)12-7-19(22)28-14-8-16-15(6-13(12)14)25-9-26-16/h4-6,8,12H,7,9H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.21E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) preincubated for 10 mins in presence of NADPH generating system followed by addition of dibenzylfluorescein ...


Eur J Med Chem 119: 141-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.087
BindingDB Entry DOI: 10.7270/Q29Z96V5
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM92556
PNG
(Neoflavonoid, 8)
Show SMILES COc1cc(cc(OC)c1O)C1CC(=O)Oc2cc3OCOc3cc12
Show InChI InChI=1/C18H16O7/c1-21-15-3-9(4-16(22-2)18(15)20)10-6-17(19)25-12-7-14-13(5-11(10)12)23-8-24-14/h3-5,7,10,20H,6,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.21E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) preincubated for 10 mins in presence of NADPH generating system followed by addition of dibenzylfluorescein ...


Eur J Med Chem 119: 141-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.087
BindingDB Entry DOI: 10.7270/Q29Z96V5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50454051
PNG
(CHEMBL4207636)
Show SMILES CC1CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1
Show InChI InChI=1S/C29H27NO3/c1-18-14-24(32)29-26(15-18)33-25-13-7-12-23(31)28(25)27(29)22-16-20-10-5-6-11-21(20)30(22)17-19-8-3-2-4-9-19/h2-6,8-11,16,18,27H,7,12-15,17H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 1.66E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50454049
PNG
(CHEMBL4214332)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1
Show InChI InChI=1S/C30H29NO3/c1-30(2)16-24(33)29-26(17-30)34-25-14-8-13-23(32)28(25)27(29)22-15-20-11-6-7-12-21(20)31(22)18-19-9-4-3-5-10-19/h3-7,9-12,15,27H,8,13-14,16-18H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 1.84E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM120843
PNG
(5‐(3‐nitrophenyl)‐2‐phenyl...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1Nc2ccccc2-c2cc(nn12)-c1ccccc1
Show InChI InChI=1/C22H16N4O2/c27-26(28)17-10-6-9-16(13-17)22-23-19-12-5-4-11-18(19)21-14-20(24-25(21)22)15-7-2-1-3-8-15/h1-14,22-23H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.09E+4n/an/an/an/a7.525



Central University of Punjab



Assay Description
The reaction mixture contained 1.5 mL of 50 mM potassium phosphate buffer (pH 7.5), 1 mL test sample solutions (5, 10, 25, 50, and 100 µM) was d...


Bioorg Chem 57: 57-64 (2014)


Article DOI: 10.1016/j.bioorg.2014.08.007
BindingDB Entry DOI: 10.7270/Q22Z146M
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 68 total )  |  Next  |  Last  >>
Jump to: