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8 similar compounds to monomer 50145152

Wt: 366.2
BDBM50145171
Wt: 369.4
BDBM50145176
Wt: 344.3
BDBM50145139
Wt: 337.2
BDBM50145172
Wt: 364.3
BDBM50145145
Wt: 387.3
BDBM50145147
Wt: 379.3
BDBM50145151
Wt: 339.4
BDBM50145190

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50145171,50145176,50145139,50145172,50145145,50145147,50145151,50145190   
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50145171
PNG
(CHEMBL3765460)
Show SMILES OCCNc1ccc2nnnc(Nc3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C15H13F3N6O2/c16-15(17,18)26-10-3-1-2-9(8-10)20-14-13-11(22-24-23-14)4-5-12(21-13)19-6-7-25/h1-5,8,25H,6-7H2,(H,19,21)(H,20,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50145172
PNG
(CHEMBL3765175)
Show SMILES COc1ccc2nnnc(Nc3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C14H10F3N5O2/c1-23-11-6-5-10-12(19-11)13(21-22-20-10)18-8-3-2-4-9(7-8)24-14(15,16)17/h2-7H,1H3,(H,18,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.02E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145176
PNG
((+)-Madindoline A | CHEMBL382330)
Show SMILES CCCCC1=C(C)C(=O)[C@@](C)(CN2[C@H]3OCC[C@@]3(O)c3ccccc23)C1=O
Show InChI InChI=1S/C22H27NO4/c1-4-5-8-15-14(2)18(24)21(3,19(15)25)13-23-17-10-7-6-9-16(17)22(26)11-12-27-20(22)23/h6-7,9-10,20,26H,4-5,8,11-13H2,1-3H3/t20-,21+,22+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145190
PNG
(CHEMBL3763626)
Show SMILES CCCCCCCC(=C)[C@@H](O)[C@H](C)C(=O)N1[C@H](COC1=O)C(C)C
Show InChI InChI=1/C19H33NO4/c1-6-7-8-9-10-11-14(4)17(21)15(5)18(22)20-16(13(2)3)12-24-19(20)23/h13,15-17,21H,4,6-12H2,1-3,5H3/t15-,16+,17+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50145151
PNG
(CHEMBL3764202)
Show SMILES Cn1ccnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1
Show InChI InChI=1/C20H15F2N5O/c1-27-7-6-23-19(27)16-17(10-2-4-11(21)5-3-10)24-14-9-12(22)8-13-15(14)18(16)25-26-20(13)28/h2-9,16-17,24H,1H3,(H,26,28)/t16-,17-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.60n/an/an/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50145145
PNG
(CHEMBL3765661)
Show SMILES Cn1ncnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1cncnc1
Show InChI InChI=1/C17H13FN8O/c1-26-16(21-7-22-26)13-14(8-4-19-6-20-5-8)23-11-3-9(18)2-10-12(11)15(13)24-25-17(10)27/h2-7,13-14,23H,1H3,(H,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.60n/an/an/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50145147
PNG
(CHEMBL3765472)
Show SMILES Cn1ncnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(cc1)C#N
Show InChI InChI=1/C20H14FN7O/c1-28-19(23-9-24-28)16-17(11-4-2-10(8-22)3-5-11)25-14-7-12(21)6-13-15(14)18(16)26-27-20(13)29/h2-7,9,16-17,25H,1H3,(H,27,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.90n/an/an/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50145139
PNG
(CHEMBL3765125)
Show SMILES Cn1ncnc1C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccccc1
Show InChI InChI=1/C19H16N6O/c1-25-18(20-10-21-25)15-16(11-6-3-2-4-7-11)22-13-9-5-8-12-14(13)17(15)23-24-19(12)26/h2-10,15-16,22H,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 149n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50145151
PNG
(CHEMBL3764202)
Show SMILES Cn1ccnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1
Show InChI InChI=1/C20H15F2N5O/c1-27-7-6-23-19(27)16-17(10-2-4-11(21)5-3-10)24-14-9-12(22)8-13-15(14)18(16)25-26-20(13)28/h2-9,16-17,24H,1H3,(H,26,28)/t16-,17-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 18n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50145139
PNG
(CHEMBL3765125)
Show SMILES Cn1ncnc1C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccccc1
Show InChI InChI=1/C19H16N6O/c1-25-18(20-10-21-25)15-16(11-6-3-2-4-7-11)22-13-9-5-8-12-14(13)17(15)23-24-19(12)26/h2-10,15-16,22H,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.40n/an/an/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair