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Compile Data Set for Download or QSAR

Found 375 hits with Last Name = 'srinivasan' and Initial = 's'   
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
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238727
PNG
(CHEMBL4065838)
Show SMILES OCCN(CCO)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C30H35NO4/c32-13-11-31(12-14-33)28(35)10-3-20-1-4-23(5-2-20)29(24-6-8-27(34)9-7-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h1-10,21-22,25-26,32-34H,11-19H2/b10-3+,30-29-
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0.130n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238724
PNG
(CHEMBL4060067)
Show SMILES OCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C28H31NO3/c30-12-11-29-26(32)10-3-18-1-4-21(5-2-18)27(22-6-8-25(31)9-7-22)28-23-14-19-13-20(16-23)17-24(28)15-19/h1-10,19-20,23-24,30-31H,11-17H2,(H,29,32)/b10-3+,28-27-
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0.180n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238716
PNG
(CHEMBL4079530)
Show SMILES NC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C26H27NO2/c27-24(29)10-3-16-1-4-19(5-2-16)25(20-6-8-23(28)9-7-20)26-21-12-17-11-18(14-21)15-22(26)13-17/h1-10,17-18,21-22,28H,11-15H2,(H2,27,29)/b10-3+,26-25-
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0.270n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238726
PNG
(CHEMBL4083780)
Show SMILES NCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O2/c31-13-1-2-14-32-28(34)12-5-20-3-6-23(7-4-20)29(24-8-10-27(33)11-9-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h3-12,21-22,25-26,33H,1-2,13-19,31H2,(H,32,34)/b12-5+,30-29-
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0.320n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238743
PNG
(CHEMBL4070669)
Show SMILES CN(C)CCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O2/c1-32(2)14-13-31-28(34)12-5-20-3-6-23(7-4-20)29(24-8-10-27(33)11-9-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h3-12,21-22,25-26,33H,13-19H2,1-2H3,(H,31,34)/b12-5+,30-29-
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0.350n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238720
PNG
(CHEMBL4102857)
Show SMILES OCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C30H35NO3/c32-14-2-1-13-31-28(34)12-5-20-3-6-23(7-4-20)29(24-8-10-27(33)11-9-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h3-12,21-22,25-26,32-33H,1-2,13-19H2,(H,31,34)/b12-5+,30-29-
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0.360n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238739
PNG
(CHEMBL4079644)
Show SMILES OCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C28H30O4/c29-11-12-32-26(31)10-3-18-1-4-21(5-2-18)27(22-6-8-25(30)9-7-22)28-23-14-19-13-20(16-23)17-24(28)15-19/h1-10,19-20,23-24,29-30H,11-17H2/b10-3+,28-27-
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0.370n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated against Histamine N-methyl-transferase


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238733
PNG
(CHEMBL4099302)
Show SMILES CN(CCO)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C29H33NO3/c1-30(12-13-31)27(33)11-4-19-2-5-22(6-3-19)28(23-7-9-26(32)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,31-32H,12-18H2,1H3/b11-4+,29-28-
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0.370n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238742
PNG
(CHEMBL4062045)
Show SMILES NCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C29H34N2O2/c30-12-1-13-31-27(33)11-4-19-2-5-22(6-3-19)28(23-7-9-26(32)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,32H,1,12-18,30H2,(H,31,33)/b11-4+,29-28-
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0.370n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238717
PNG
(CHEMBL4097562)
Show SMILES CCCNS(=O)(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C28H33NO3S/c1-2-12-29-33(31,32)13-11-19-3-5-22(6-4-19)27(23-7-9-26(30)10-8-23)28-24-15-20-14-21(17-24)18-25(28)16-20/h3-11,13,20-21,24-25,29-30H,2,12,14-18H2,1H3/b13-11+,28-27-
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0.380n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238737
PNG
(CHEMBL4083658)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C26H26O3/c27-23-8-6-20(7-9-23)25(19-4-1-16(2-5-19)3-10-24(28)29)26-21-12-17-11-18(14-21)15-22(26)13-17/h1-10,17-18,21-22,27H,11-15H2,(H,28,29)/b10-3+,26-25-
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0.400n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238740
PNG
(CHEMBL4078577)
Show SMILES OCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C29H33NO3/c31-13-1-12-30-27(33)11-4-19-2-5-22(6-3-19)28(23-7-9-26(32)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,31-32H,1,12-18H2,(H,30,33)/b11-4+,29-28-
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0.430n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238738
PNG
(CHEMBL4060817)
Show SMILES COC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C27H28O3/c1-30-25(29)11-4-17-2-5-20(6-3-17)26(21-7-9-24(28)10-8-21)27-22-13-18-12-19(15-22)16-23(27)14-18/h2-11,18-19,22-23,28H,12-16H2,1H3/b11-4+,27-26-
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0.430n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238728
PNG
(CHEMBL4089824)
Show SMILES OCCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C30H34O4/c31-13-1-2-14-34-28(33)12-5-20-3-6-23(7-4-20)29(24-8-10-27(32)11-9-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h3-12,21-22,25-26,31-32H,1-2,13-19H2/b12-5+,30-29-
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0.450n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238719
PNG
(CHEMBL4073395)
Show SMILES NCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C28H32N2O2/c29-11-12-30-26(32)10-3-18-1-4-21(5-2-18)27(22-6-8-25(31)9-7-22)28-23-14-19-13-20(16-23)17-24(28)15-19/h1-10,19-20,23-24,31H,11-17,29H2,(H,30,32)/b10-3+,28-27-
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0.570n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238735
PNG
(CHEMBL4100247)
Show SMILES OCCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C31H37NO3/c33-15-3-1-2-14-32-29(35)13-6-21-4-7-24(8-5-21)30(25-9-11-28(34)12-10-25)31-26-17-22-16-23(19-26)20-27(31)18-22/h4-13,22-23,26-27,33-34H,1-3,14-20H2,(H,32,35)/b13-6+,31-30-
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0.650n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238715
PNG
(CHEMBL4098470)
Show SMILES CCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C30H35NO2/c1-2-3-14-31-28(33)13-6-20-4-7-23(8-5-20)29(24-9-11-27(32)12-10-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h4-13,21-22,25-26,32H,2-3,14-19H2,1H3,(H,31,33)/b13-6+,30-29-
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0.710n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238725
PNG
(CHEMBL4081283)
Show SMILES CCCCN(C)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C31H37NO2/c1-3-4-15-32(2)29(34)14-7-21-5-8-24(9-6-21)30(25-10-12-28(33)13-11-25)31-26-17-22-16-23(19-26)20-27(31)18-22/h5-14,22-23,26-27,33H,3-4,15-20H2,1-2H3/b14-7+,31-30-
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0.710n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238729
PNG
(CHEMBL4098232)
Show SMILES OCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C29H32O4/c30-12-1-13-33-27(32)11-4-19-2-5-22(6-3-19)28(23-7-9-26(31)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,30-31H,1,12-18H2/b11-4+,29-28-
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0.710n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238714
PNG
(CHEMBL4081969)
Show SMILES CCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C31H37NO2/c1-2-3-4-15-32-29(34)14-7-21-5-8-24(9-6-21)30(25-10-12-28(33)13-11-25)31-26-17-22-16-23(19-26)20-27(31)18-22/h5-14,22-23,26-27,33H,2-4,15-20H2,1H3,(H,32,34)/b14-7+,31-30-
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0.740n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238736
PNG
(CHEMBL1091535 | GW7604)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23?
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1n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238721
PNG
(CHEMBL4071436)
Show SMILES CCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C29H33NO2/c1-2-13-30-27(32)12-5-19-3-6-22(7-4-19)28(23-8-10-26(31)11-9-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h3-12,20-21,24-25,31H,2,13-18H2,1H3,(H,30,32)/b12-5+,29-28-
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1.10n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093383
PNG
(2-(4-Trifluoromethyl-phenyl)-1H-benzoimidazole-4-c...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)9-6-4-8(5-7-9)14-20-11-3-1-2-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21)
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1.20n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238731
PNG
(CHEMBL4091563)
Show SMILES Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(\C=C\C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C28H28F3NO2/c29-28(30,31)16-32-25(34)10-3-17-1-4-20(5-2-17)26(21-6-8-24(33)9-7-21)27-22-12-18-11-19(14-22)15-23(27)13-18/h1-10,18-19,22-23,33H,11-16H2,(H,32,34)/b10-3+,27-26-
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1.30n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238722
PNG
(CHEMBL4068722)
Show SMILES Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(\C=C\C#N)cc1
Show InChI InChI=1S/C26H25NO/c27-11-1-2-17-3-5-20(6-4-17)25(21-7-9-24(28)10-8-21)26-22-13-18-12-19(15-22)16-23(26)14-18/h1-10,18-19,22-23,28H,12-16H2/b2-1+,26-25-
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1.40n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093359
PNG
(2-(4-Hydroxymethyl-phenyl)-1H-benzoimidazole-4-car...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CO)cc1
Show InChI InChI=1S/C15H13N3O2/c16-14(20)11-2-1-3-12-13(11)18-15(17-12)10-6-4-9(8-19)5-7-10/h1-7,19H,8H2,(H2,16,20)(H,17,18)
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1.60n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238734
PNG
(CHEMBL4101656)
Show SMILES CCCCCC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C31H36O2/c1-2-3-4-5-28(32)13-8-21-6-9-24(10-7-21)30(25-11-14-29(33)15-12-25)31-26-17-22-16-23(19-26)20-27(31)18-22/h6-15,22-23,26-27,33H,2-5,16-20H2,1H3/b13-8+,31-30-
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1.70n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238730
PNG
(CHEMBL4099166)
Show SMILES CCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C30H34O3/c1-2-3-14-33-28(32)13-6-20-4-7-23(8-5-20)29(24-9-11-27(31)12-10-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h4-13,21-22,25-26,31H,2-3,14-19H2,1H3/b13-6+,30-29-
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1.80n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093384
PNG
(2-(3-Hydroxy-4-methoxy-phenyl)-1H-benzoimidazole-4...)
Show SMILES COc1ccc(cc1O)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C15H13N3O3/c1-21-12-6-5-8(7-11(12)19)15-17-10-4-2-3-9(14(16)20)13(10)18-15/h2-7,19H,1H3,(H2,16,20)(H,17,18)
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2n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093372
PNG
(2-(4-Chloro-phenyl)-1H-benzoimidazole-4-carboxylic...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN3O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,(H2,16,19)(H,17,18)
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3n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238732
PNG
(CHEMBL4082698)
Show SMILES CCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C28H30O3/c1-2-31-26(30)12-5-18-3-6-21(7-4-18)27(22-8-10-25(29)11-9-22)28-23-14-19-13-20(16-23)17-24(28)15-19/h3-12,19-20,23-24,29H,2,13-17H2,1H3/b12-5+,28-27-
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3.30n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093379
PNG
(2-(4-Cyano-phenyl)-1H-benzoimidazole-4-carboxylic ...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H10N4O/c16-8-9-4-6-10(7-5-9)15-18-12-3-1-2-11(14(17)20)13(12)19-15/h1-7H,(H2,17,20)(H,18,19)
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4n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093362
PNG
(2-(3,4-Dimethoxy-phenyl)-1H-benzoimidazole-4-carbo...)
Show SMILES COc1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H15N3O3/c1-21-12-7-6-9(8-13(12)22-2)16-18-11-5-3-4-10(15(17)20)14(11)19-16/h3-8H,1-2H3,(H2,17,20)(H,18,19)
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5.40n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093361
PNG
(2-(4-Dimethylamino-phenyl)-1H-benzoimidazole-4-car...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H16N4O/c1-20(2)11-8-6-10(7-9-11)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-9H,1-2H3,(H2,17,21)(H,18,19)
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5.80n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093365
PNG
(2-Benzo[1,3]dioxol-5-yl-1H-benzoimidazole-4-carbox...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C15H11N3O3/c16-14(19)9-2-1-3-10-13(9)18-15(17-10)8-4-5-11-12(6-8)21-7-20-11/h1-6H,7H2,(H2,16,19)(H,17,18)
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5.90n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093374
PNG
(2-(4-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxyli...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(O)cc1
Show InChI InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)
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6n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093373
PNG
(2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE |...)
Show SMILES COc1cccc(c1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
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6n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093375
PNG
(2-(3-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxyli...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(O)c1
Show InChI InChI=1S/C14H11N3O2/c15-13(19)10-5-2-6-11-12(10)17-14(16-11)8-3-1-4-9(18)7-8/h1-7,18H,(H2,15,19)(H,16,17)
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6.30n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27684
PNG
(2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxam...)
Show SMILES COc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C15H13N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
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6.80n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093360
PNG
(2-(3-Hydroxymethyl-phenyl)-1H-benzoimidazole-4-car...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(CO)c1
Show InChI InChI=1S/C15H13N3O2/c16-14(20)11-5-2-6-12-13(11)18-15(17-12)10-4-1-3-9(7-10)8-19/h1-7,19H,8H2,(H2,16,20)(H,17,18)
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6.80n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238723
PNG
(CHEMBL4072205)
Show SMILES CC(C)CCCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1
Show InChI InChI=1S/C34H42O3/c1-23(2)6-4-3-5-17-37-32(36)16-9-24-7-10-27(11-8-24)33(28-12-14-31(35)15-13-28)34-29-19-25-18-26(21-29)22-30(34)20-25/h7-16,23,25-26,29-30,35H,3-6,17-22H2,1-2H3/b16-9+,34-33-
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7.10n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093377
PNG
(2-(4-Nitro-phenyl)-1H-benzoimidazole-4-carboxylic ...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(7-5-8)18(20)21/h1-7H,(H2,15,19)(H,16,17)
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8n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093382
PNG
(2-(3-Trifluoromethyl-phenyl)-1H-benzoimidazole-4-c...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)9-4-1-3-8(7-9)14-20-11-6-2-5-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21)
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8n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093370
PNG
(4-(4-Carbamoyl-1H-benzoimidazol-2-yl)-benzoic acid...)
Show SMILES CCOC(=O)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C17H15N3O3/c1-2-23-17(22)11-8-6-10(7-9-11)16-19-13-5-3-4-12(15(18)21)14(13)20-16/h3-9H,2H2,1H3,(H2,18,21)(H,19,20)
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8.10n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093368
PNG
(2-(3-Chloro-phenyl)-1H-benzoimidazole-4-carboxylic...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H10ClN3O/c15-9-4-1-3-8(7-9)14-17-11-6-2-5-10(13(16)19)12(11)18-14/h1-7H,(H2,16,19)(H,17,18)
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8.40n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093385
PNG
(2-(2-Fluoro-phenyl)-1H-benzoimidazole-4-carboxylic...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccccc1F
Show InChI InChI=1S/C14H10FN3O/c15-10-6-2-1-4-8(10)14-17-11-7-3-5-9(13(16)19)12(11)18-14/h1-7H,(H2,16,19)(H,17,18)
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9n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093380
PNG
(2-(3-Allyloxy-4-methoxy-phenyl)-1H-benzoimidazole-...)
Show SMILES COc1ccc(cc1OCC=C)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H17N3O3/c1-3-9-24-15-10-11(7-8-14(15)23-2)18-20-13-6-4-5-12(17(19)22)16(13)21-18/h3-8,10H,1,9H2,2H3,(H2,19,22)(H,20,21)
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9.40n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093369
PNG
(2-(2-Chloro-phenyl)-1H-benzoimidazole-4-carboxylic...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C14H10ClN3O/c15-10-6-2-1-4-8(10)14-17-11-7-3-5-9(13(16)19)12(11)18-14/h1-7H,(H2,16,19)(H,17,18)
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9.40n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093378
PNG
(2-(2-Hydroxymethyl-phenyl)-1H-benzoimidazole-4-car...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccccc1CO
Show InChI InChI=1S/C15H13N3O2/c16-14(20)11-6-3-7-12-13(11)18-15(17-12)10-5-2-1-4-9(10)8-19/h1-7,19H,8H2,(H2,16,20)(H,17,18)
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10.6n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093366
PNG
(2-(4-Amino-phenyl)-1H-benzoimidazole-4-carboxylic ...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(N)cc1
Show InChI InChI=1S/C14H12N4O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,15H2,(H2,16,19)(H,17,18)
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11n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
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