Found 356 hits with Last Name = 'xiong' and Initial = 'f' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50129952
(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50052738
((2R,3R,4R,5R,6R,7R)-2,7-Dibenzyl-1,1-dioxo-3,6-bis...)Show SMILES O[C@@H]1[C@@H](O)[C@@H](OCc2cncs2)[C@@H](Cc2ccccc2)S(=O)(=O)[C@H](Cc2ccccc2)[C@@H]1OCc1cncs1 Show InChI InChI=1S/C28H30N2O6S3/c31-25-26(32)28(36-16-22-14-30-18-38-22)24(12-20-9-5-2-6-10-20)39(33,34)23(11-19-7-3-1-4-8-19)27(25)35-15-21-13-29-17-37-21/h1-10,13-14,17-18,23-28,31-32H,11-12,15-16H2/t23-,24-,25-,26-,27+,28+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Concentration needed to inhibit HIV- protease activity by 50%. |
J Med Chem 39: 3431-4 (1996)
Article DOI: 10.1021/jm960340o
BindingDB Entry DOI: 10.7270/Q22N51DG |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50052740
((2R,3R,4R,5R,6R,7R)-2,7-Dibenzyl-3,6-bis-benzyloxy...)Show SMILES O[C@@H]1[C@@H](O)[C@@H](OCc2ccccc2)[C@@H](Cc2ccccc2)S(=O)(=O)[C@H](Cc2ccccc2)[C@@H]1OCc1ccccc1 Show InChI InChI=1S/C34H36O6S/c35-31-32(36)34(40-24-28-19-11-4-12-20-28)30(22-26-15-7-2-8-16-26)41(37,38)29(21-25-13-5-1-6-14-25)33(31)39-23-27-17-9-3-10-18-27/h1-20,29-36H,21-24H2/t29-,30-,31-,32-,33+,34+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Concentration needed to inhibit HIV- protease activity by 50%. |
J Med Chem 39: 3431-4 (1996)
Article DOI: 10.1021/jm960340o
BindingDB Entry DOI: 10.7270/Q22N51DG |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50052739
((2R,3R,4R,5R,6R,7R)-3,6-Bis-(3-amino-benzyloxy)-2,...)Show SMILES Nc1cccc(CO[C@@H]2[C@H](O)[C@@H](O)[C@@H](OCc3cccc(N)c3)[C@@H](Cc3ccccc3)S(=O)(=O)[C@@H]2Cc2ccccc2)c1 Show InChI InChI=1S/C34H38N2O6S/c35-27-15-7-13-25(17-27)21-41-33-29(19-23-9-3-1-4-10-23)43(39,40)30(20-24-11-5-2-6-12-24)34(32(38)31(33)37)42-22-26-14-8-16-28(36)18-26/h1-18,29-34,37-38H,19-22,35-36H2/t29-,30-,31-,32-,33+,34+/m1/s1 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Concentration needed to inhibit HIV- protease activity by 50%. |
J Med Chem 39: 3431-4 (1996)
Article DOI: 10.1021/jm960340o
BindingDB Entry DOI: 10.7270/Q22N51DG |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-2 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50603811
(CHEMBL5171560)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r| | PDB
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| Article
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Cricetulus griseus (Chinese hamster)) | BDBM234274
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES CC1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(49.96,-19.21,;48.43,-19.05,;47.8,-17.64,;46.27,-17.48,;45.37,-18.72,;45.99,-20.13,;47.52,-20.29,;43.83,-18.56,;42.93,-19.81,;43.56,-21.22,;41.4,-19.65,;40.37,-20.79,;38.96,-20.17,;39.12,-18.63,;40.63,-18.31,;41.25,-16.91,;37.98,-17.6,;36.51,-18.08,;35.37,-17.05,;35.69,-15.54,;34.54,-14.51,;37.15,-15.07,;38.3,-16.1,;37.63,-20.94,;36.29,-20.17,;34.96,-20.94,;34.96,-22.48,;33.63,-23.25,;36.29,-23.25,;37.63,-22.48,;38.96,-23.25,)| Show InChI InChI=1S/C24H24Cl3N3O/c1-14-3-10-19(11-4-14)28-24(31)22-15(2)23(16-5-7-17(25)8-6-16)30(29-22)21-12-9-18(26)13-20(21)27/h5-9,12-14,19H,3-4,10-11H2,1-2H3,(H,28,31) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.31 | n/a | n/a | n/a | n/a | n/a | n/a |
NanChang University School of Pharmaceutical Science
| Assay Description
The target compounds were evaluated using a binding assay towards the CB1 receptor expressed on the membranes of Chinese hamster ovarian (CHO) cells.... |
J Enzyme Inhib Med Chem 26: 222-30 (2011)
Article DOI: 10.3109/14756366.2010.491794
BindingDB Entry DOI: 10.7270/Q26D5RW8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Cricetulus griseus (Chinese hamster)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
UniProtKB/TrEMBL
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| Article
PubMed
| n/a | n/a | 4.72 | n/a | n/a | n/a | n/a | n/a | n/a |
NanChang University School of Pharmaceutical Science
| Assay Description
The target compounds were evaluated using a binding assay towards the CB1 receptor expressed on the membranes of Chinese hamster ovarian (CHO) cells.... |
J Enzyme Inhib Med Chem 26: 222-30 (2011)
Article DOI: 10.3109/14756366.2010.491794
BindingDB Entry DOI: 10.7270/Q26D5RW8 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Monoglyceride lipase
(Mus musculus (mouse)) | BDBM60622
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2 | Reactome pathway
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| Article
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MAGL in mouse brain membrane using 2-AG as substrate by LC-MS analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127986
BindingDB Entry DOI: 10.7270/Q2D222D0 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50226527
(CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...)Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13) | PDB
MMDB
NCI pathway
Reactome pathway
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| Article
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| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human iNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00578
BindingDB Entry DOI: 10.7270/Q2H9993V |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50450776
(CHEMBL4203881)Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)ON1C(=O)CCC1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21Cl2N3O4/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)25-11-13-26(14-12-25)22(30)31-27-19(28)9-10-20(27)29/h1-8,21H,9-14H2 | PDB
MMDB
Reactome pathway
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant MAGL expressed in human HEK293T cells by gel-based competitive ABPP analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127986
BindingDB Entry DOI: 10.7270/Q2D222D0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579039
(CHEMBL4853039)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)C(=O)c3ccco3)c2o1 | PDB
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579053
(CHEMBL4868405)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(Cc4cccs4)CC3)c2o1 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579038
(CHEMBL4847227)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)C(=O)c3cccs3)c2o1 | PDB
MMDB
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579054
(CHEMBL4876922)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(Cc4ccco4)CC3)c2o1 | PDB
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579055
(CHEMBL4856808)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(Cc4ccncc4)CC3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50414921
(CHEMBL570812)Show SMILES COc1nn(-c2ccc(NC(=O)OCc3ccccc3)c(C)c2)c(=O)o1 Show InChI InChI=1S/C18H17N3O5/c1-12-10-14(21-18(23)26-17(20-21)24-2)8-9-15(12)19-16(22)25-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MAGL (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127986
BindingDB Entry DOI: 10.7270/Q2D222D0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579037
(CHEMBL4849380)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)C(=O)c3ccccn3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579049
(CHEMBL4862002)Show SMILES COc1ccc(CN2CCN(Cc3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)CC2)c(OC)c1OC | PDB
MMDB
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B.MOAD
antibodypedia
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UniChem
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50155926
(CHEMBL3183703)Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23) | PDB
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MCE
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Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00568
BindingDB Entry DOI: 10.7270/Q2JW8JWV |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50155926
(CHEMBL3183703)Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23) | PDB
UniProtKB/SwissProt
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MCE
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00568
BindingDB Entry DOI: 10.7270/Q2JW8JWV |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579035
(CHEMBL4848834)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)C(=O)c3cccnc3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579048
(CHEMBL4863696)Show SMILES COc1cc(CN2CCN(Cc3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)CC2)cc(OC)c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579036
(CHEMBL4867555)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)C(=O)c3ccncc3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579065
(CHEMBL4873634)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)c3cncnc3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50563975
(CHEMBL4799284) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579050
(CHEMBL4876971)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579045
(CHEMBL4876352)Show SMILES Cc1ccc(CN2CCN(Cc3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)CC2)cc1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein G(q) subunit alpha
(Homo sapiens) | BDBM50514449
(CHEMBL4171381)Show SMILES CCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30+,33+,35-,36-,37-,38-,39+,40+,41+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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UniChem
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Galphaq/11 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01977
BindingDB Entry DOI: 10.7270/Q2W099PS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579046
(CHEMBL4854276)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(Cc4ccc(Cl)cc4)CC3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Guanine nucleotide binding protein, alpha q polypeptide
(Cricetulus griseus) | BDBM50514449
(CHEMBL4171381)Show SMILES CCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30+,33+,35-,36-,37-,38-,39+,40+,41+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of Gq-mediated signalling in CHOK1 cells stably expressing M1 muscarinic receptor assessed as inhibition of carbachol-induced IP1 producti... |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579047
(CHEMBL4865730)Show SMILES COc1ccc(CN2CCN(Cc3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)CC2)cc1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579041
(CHEMBL4853266)Show SMILES Cc1cc(C)cc(COC(=O)N2CCN(Cc3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)CC2)c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579051
(CHEMBL4875196)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(Cc4ccc(F)cc4)CC3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579058
(CHEMBL4855360)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)c3ccccc3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579059
(CHEMBL4848408)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)c3ccccc3O)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579029
(CHEMBL4870649)Show SMILES CC(C)C(=O)N1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579026
(CHEMBL4868456)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)C(=O)C3CC3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579052
(CHEMBL4874308)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC4CCCO4)CC3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579060
(CHEMBL4862834)Show SMILES Oc1ccc(cc1)N1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579033
(CHEMBL4847485)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579032
(CHEMBL4854910)Show SMILES COc1ccc(cc1)C(=O)N1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579030
(CHEMBL4863798)Show SMILES CC(=O)N1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579040
(CHEMBL4850517)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)C(=O)OCc3ccccc3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579057
(CHEMBL4861133)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(Cc4ccoc4)CC3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579028
(CHEMBL4866335)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)C(=O)C3CCCCC3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27496
((4Z)-4-[(1-methyl-1H-pyrrol-2-yl)methylidene]-1,2,...)Show InChI InChI=1S/C15H12N2O2/c1-17-8-4-5-10(17)9-13-11-6-2-3-7-12(11)14(18)16-15(13)19/h2-9H,1H3,(H,16,18,19)/b13-9- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50579027
(CHEMBL4869388)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(CC3)C(=O)C3CCC3)c2o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PARP-1 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
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