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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'xu' and Initial = 'yh'   
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
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544291
PNG
(CHEMBL4633662)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F
Show InChI InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+
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n/an/a 800n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544262
PNG
(CHEMBL4647093)
Show SMILES CCN(CC)CCNc1ccc2c(c1)nc1\C(CCn1c2=O)=C\c1ccc(cc1)C(C)C
Show InChI InChI=1S/C27H34N4O/c1-5-30(6-2)16-14-28-23-11-12-24-25(18-23)29-26-22(13-15-31(26)27(24)32)17-20-7-9-21(10-8-20)19(3)4/h7-12,17-19,28H,5-6,13-16H2,1-4H3/b22-17+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50505091
PNG
(CHEMBL4075790)
Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544277
PNG
(CHEMBL4646986)
Show SMILES CCN(CC)CCCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C
Show InChI InChI=1S/C29H37FN4O/c1-5-33(6-2)15-8-7-14-31-27-19-26-24(18-25(27)30)29(35)34-16-13-23(28(34)32-26)17-21-9-11-22(12-10-21)20(3)4/h9-12,17-20,31H,5-8,13-16H2,1-4H3/b23-17+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544261
PNG
(CHEMBL4636576)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C
Show InChI InChI=1S/C27H33FN4O/c1-5-31(6-2)14-12-29-25-17-24-22(16-23(25)28)27(33)32-13-11-21(26(32)30-24)15-19-7-9-20(10-8-19)18(3)4/h7-10,15-18,29H,5-6,11-14H2,1-4H3/b21-15+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544269
PNG
(CHEMBL4642601)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1O)N(CC)CC
Show InChI InChI=1S/C28H36FN5O2/c1-5-32(6-2)14-12-30-25-18-24-22(17-23(25)29)28(36)34-13-11-20(27(34)31-24)15-19-9-10-21(16-26(19)35)33(7-3)8-4/h9-10,15-18,30,35H,5-8,11-14H2,1-4H3/b20-15+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544287
PNG
(CHEMBL4648936)
Show SMILES CCN(CC)CCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(C)c(=O)c2cc1F
Show InChI InChI=1S/C26H33FN4O/c1-6-31(7-2)15-14-28-24-17-23-21(16-22(24)27)26(32)30(5)25(29-23)13-10-19-8-11-20(12-9-19)18(3)4/h8-13,16-18,28H,6-7,14-15H2,1-5H3/b13-10+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544264
PNG
(CHEMBL4649302)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H35FN4O/c1-6-32(7-2)15-13-30-25-18-24-22(17-23(25)29)27(34)33-14-12-20(26(33)31-24)16-19-8-10-21(11-9-19)28(3,4)5/h8-11,16-18,30H,6-7,12-15H2,1-5H3/b20-16+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544289
PNG
(CHEMBL4647563)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CC)c(=O)c2cc1F
Show InChI InChI=1S/C28H37FN4O/c1-6-32(7-2)17-9-16-30-26-19-25-23(18-24(26)29)28(34)33(8-3)27(31-25)15-12-21-10-13-22(14-11-21)20(4)5/h10-15,18-20,30H,6-9,16-17H2,1-5H3/b15-12+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544275
PNG
(CHEMBL4632583)
Show SMILES CC(C)c1ccc(\C=C2/CCn3c2nc2cc(NCCN(C)C)c(F)cc2c3=O)cc1
Show InChI InChI=1S/C25H29FN4O/c1-16(2)18-7-5-17(6-8-18)13-19-9-11-30-24(19)28-22-15-23(27-10-12-29(3)4)21(26)14-20(22)25(30)31/h5-8,13-16,27H,9-12H2,1-4H3/b19-13+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544288
PNG
(CHEMBL4647503)
Show SMILES CCN(CC)CCNc1cc2nc(\C=C\c3ccc(C(C)C)c(O)c3)n(C)c(=O)c2cc1F
Show InChI InChI=1S/C26H33FN4O2/c1-6-31(7-2)13-12-28-23-16-22-20(15-21(23)27)26(33)30(5)25(29-22)11-9-18-8-10-19(17(3)4)24(32)14-18/h8-11,14-17,28,32H,6-7,12-13H2,1-5H3/b11-9+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544266
PNG
(CHEMBL4649146)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-12-30-26-18-25-23(17-24(26)29)28(34)33-13-11-22(27(33)31-25)16-21-9-7-20(8-10-21)15-19(3)4/h7-10,16-19,30H,5-6,11-15H2,1-4H3/b22-16+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544263
PNG
(CHEMBL4637928)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(CC)cc1
Show InChI InChI=1S/C26H31FN4O/c1-4-18-7-9-19(10-8-18)15-20-11-13-31-25(20)29-23-17-24(22(27)16-21(23)26(31)32)28-12-14-30(5-2)6-3/h7-10,15-17,28H,4-6,11-14H2,1-3H3/b20-15+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544265
PNG
(CHEMBL4634966)
Show SMILES CCCc1ccc(\C=C2/CCn3c2nc2cc(NCCN(CC)CC)c(F)cc2c3=O)cc1
Show InChI InChI=1S/C27H33FN4O/c1-4-7-19-8-10-20(11-9-19)16-21-12-14-32-26(21)30-24-18-25(23(28)17-22(24)27(32)33)29-13-15-31(5-2)6-3/h8-11,16-18,29H,4-7,12-15H2,1-3H3/b21-16+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544290
PNG
(CHEMBL4640219)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CC(C)C)c(=O)c2cc1F
Show InChI InChI=1S/C30H41FN4O/c1-7-34(8-2)17-9-16-32-28-19-27-25(18-26(28)31)30(36)35(20-21(3)4)29(33-27)15-12-23-10-13-24(14-11-23)22(5)6/h10-15,18-19,21-22,32H,7-9,16-17,20H2,1-6H3/b15-12+
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544268
PNG
(CHEMBL4637736)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1O)C(C)C
Show InChI InChI=1S/C27H33FN4O2/c1-5-31(6-2)12-10-29-24-16-23-21(15-22(24)28)27(34)32-11-9-20(26(32)30-23)13-19-8-7-18(17(3)4)14-25(19)33/h7-8,13-17,29,33H,5-6,9-12H2,1-4H3/b20-13+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544273
PNG
(CHEMBL4642239)
Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1O)C(C)C
Show InChI InChI=1S/C28H35FN4O2/c1-5-32(6-2)12-7-11-30-25-17-24-22(16-23(25)29)28(35)33-13-10-21(27(33)31-24)14-20-9-8-19(18(3)4)15-26(20)34/h8-9,14-18,30,34H,5-7,10-13H2,1-4H3/b21-14+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544285
PNG
(CHEMBL4633150)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(CC(C)C)cc3)[nH]c(=O)c2cc1F
Show InChI InChI=1S/C27H35FN4O/c1-5-32(6-2)15-7-14-29-25-18-24-22(17-23(25)28)27(33)31-26(30-24)13-12-20-8-10-21(11-9-20)16-19(3)4/h8-13,17-19,29H,5-7,14-16H2,1-4H3,(H,30,31,33)/b13-12+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544286
PNG
(CHEMBL4634316)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(C)c(=O)c2cc1F
Show InChI InChI=1S/C27H35FN4O/c1-6-32(7-2)16-8-15-29-25-18-24-22(17-23(25)28)27(33)31(5)26(30-24)14-11-20-9-12-21(13-10-20)19(3)4/h9-14,17-19,29H,6-8,15-16H2,1-5H3/b14-11+
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n/an/a 4.70E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544270
PNG
(CHEMBL4633048)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1O)N(C)C
Show InChI InChI=1S/C26H32FN5O2/c1-5-31(6-2)12-10-28-23-16-22-20(15-21(23)27)26(34)32-11-9-18(25(32)29-22)13-17-7-8-19(30(3)4)14-24(17)33/h7-8,13-16,28,33H,5-6,9-12H2,1-4H3/b18-13+
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n/an/a 6.40E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544291
PNG
(CHEMBL4633662)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F
Show InChI InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+
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n/an/a 8.70E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of p...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544293
PNG
(CHEMBL4646290)
Show SMILES CCN(CC)CCCNc1c2CC\C(=C/c3ccc(cc3)C(C)C)c2nc2ccccc12
Show InChI InChI=1S/C29H37N3/c1-5-32(6-2)19-9-18-30-29-25-10-7-8-11-27(25)31-28-24(16-17-26(28)29)20-22-12-14-23(15-13-22)21(3)4/h7-8,10-15,20-21H,5-6,9,16-19H2,1-4H3,(H,30,31)/b24-20+
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n/an/a 8.70E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544284
PNG
(CHEMBL4639300)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)[nH]c(=O)c2cc1F
Show InChI InChI=1S/C26H33FN4O/c1-5-31(6-2)15-7-14-28-24-17-23-21(16-22(24)27)26(32)30-25(29-23)13-10-19-8-11-20(12-9-19)18(3)4/h8-13,16-18,28H,5-7,14-15H2,1-4H3,(H,29,30,32)/b13-10+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544283
PNG
(CHEMBL4649676)
Show SMILES CCN(CC)CCNc1cc2nc3C(Cc4ccc(cc4O)C(C)C)CCn3c(=O)c2cc1F
Show InChI InChI=1S/C27H35FN4O2/c1-5-31(6-2)12-10-29-24-16-23-21(15-22(24)28)27(34)32-11-9-20(26(32)30-23)13-19-8-7-18(17(3)4)14-25(19)33/h7-8,14-17,20,29,33H,5-6,9-13H2,1-4H3
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544282
PNG
(CHEMBL4643090)
Show SMILES CCN(CC)CCNc1cc2nc3C(Cc4ccc(cc4)N(C)C)CCn3c(=O)c2cc1F
Show InChI InChI=1S/C26H34FN5O/c1-5-31(6-2)14-12-28-24-17-23-21(16-22(24)27)26(33)32-13-11-19(25(32)29-23)15-18-7-9-20(10-8-18)30(3)4/h7-10,16-17,19,28H,5-6,11-15H2,1-4H3
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544281
PNG
(CHEMBL4641203)
Show SMILES CCN(CC)CCNc1cc2nc3C(Cc4ccc(CC(C)C)cc4)CCn3c(=O)c2cc1F
Show InChI InChI=1S/C28H37FN4O/c1-5-32(6-2)14-12-30-26-18-25-23(17-24(26)29)28(34)33-13-11-22(27(33)31-25)16-21-9-7-20(8-10-21)15-19(3)4/h7-10,17-19,22,30H,5-6,11-16H2,1-4H3
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544280
PNG
(CHEMBL4644499)
Show SMILES CCN(CC)CCNc1cc2nc3C(Cc4ccc(cc4)C(C)(C)C)CCn3c(=O)c2cc1F
Show InChI InChI=1S/C28H37FN4O/c1-6-32(7-2)15-13-30-25-18-24-22(17-23(25)29)27(34)33-14-12-20(26(33)31-24)16-19-8-10-21(11-9-19)28(3,4)5/h8-11,17-18,20,30H,6-7,12-16H2,1-5H3
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544279
PNG
(CHEMBL4639747)
Show SMILES CCN(CC)CCNc1cc2nc3C(Cc4ccc(cc4)C(C)C)CCn3c(=O)c2cc1F
Show InChI InChI=1S/C27H35FN4O/c1-5-31(6-2)14-12-29-25-17-24-22(16-23(25)28)27(33)32-13-11-21(26(32)30-24)15-19-7-9-20(10-8-19)18(3)4/h7-10,16-18,21,29H,5-6,11-15H2,1-4H3
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544278
PNG
(CHEMBL4644812)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)15-13-30-26-18-25-23(17-24(26)29)28(34)33-14-7-8-22(27(33)31-25)16-20-9-11-21(12-10-20)19(3)4/h9-12,16-19,30H,5-8,13-15H2,1-4H3/b22-16+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544296
PNG
(CHEMBL4644530)
Show SMILES CCN(CC)CCCNc1c2CC\C(=C/c3ccc(CC(C)C)cc3)c2nc2ccccc12
Show InChI InChI=1S/C30H39N3/c1-5-33(6-2)19-9-18-31-30-26-10-7-8-11-28(26)32-29-25(16-17-27(29)30)21-24-14-12-23(13-15-24)20-22(3)4/h7-8,10-15,21-22H,5-6,9,16-20H2,1-4H3,(H,31,32)/b25-21+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544274
PNG
(CHEMBL4640831)
Show SMILES CCOCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H28FN3O2/c1-4-31-12-10-27-23-15-22-20(14-21(23)26)25(30)29-11-9-19(24(29)28-22)13-17-5-7-18(8-6-17)16(2)3/h5-8,13-16,27H,4,9-12H2,1-3H3/b19-13+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544272
PNG
(CHEMBL4634570)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C24H27FN4O3/c1-3-28(4-2)10-8-26-20-14-19-17(13-18(20)25)24(32)29-9-7-16(23(29)27-19)11-15-5-6-21(30)22(31)12-15/h5-6,11-14,26,30-31H,3-4,7-10H2,1-2H3/b16-11+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544271
PNG
(CHEMBL4646602)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(O)cc1O
Show InChI InChI=1S/C24H27FN4O3/c1-3-28(4-2)10-8-26-21-14-20-18(13-19(21)25)24(32)29-9-7-16(23(29)27-20)11-15-5-6-17(30)12-22(15)31/h5-6,11-14,26,30-31H,3-4,7-10H2,1-2H3/b16-11+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544267
PNG
(CHEMBL4633380)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H32FN5O/c1-5-31(6-2)14-12-28-24-17-23-21(16-22(24)27)26(33)32-13-11-19(25(32)29-23)15-18-7-9-20(10-8-18)30(3)4/h7-10,15-17,28H,5-6,11-14H2,1-4H3/b19-15+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544276
PNG
(CHEMBL4646791)
Show SMILES CC(C)c1ccc(\C=C2/CCn3c2nc2cc(NCCNC(C)=O)c(F)cc2c3=O)cc1
Show InChI InChI=1S/C25H27FN4O2/c1-15(2)18-6-4-17(5-7-18)12-19-8-11-30-24(19)29-22-14-23(28-10-9-27-16(3)31)21(26)13-20(22)25(30)32/h4-7,12-15,28H,8-11H2,1-3H3,(H,27,31)/b19-12+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544295
PNG
(CHEMBL4645157)
Show SMILES CCN(CC)CCCNc1c2CC\C(=C/c3ccc(CC)cc3)c2nc2ccccc12
Show InChI InChI=1S/C28H35N3/c1-4-21-12-14-22(15-13-21)20-23-16-17-25-27(23)30-26-11-8-7-10-24(26)28(25)29-18-9-19-31(5-2)6-3/h7-8,10-15,20H,4-6,9,16-19H2,1-3H3,(H,29,30)/b23-20+
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544294
PNG
(CHEMBL4641826)
Show SMILES CC(C)c1ccc(\C=C2/CCc3c2nc2ccccc2c3NCCCN(C)C)cc1
Show InChI InChI=1S/C27H33N3/c1-19(2)21-12-10-20(11-13-21)18-22-14-15-24-26(22)29-25-9-6-5-8-23(25)27(24)28-16-7-17-30(3)4/h5-6,8-13,18-19H,7,14-17H2,1-4H3,(H,28,29)/b22-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544292
PNG
(CHEMBL4633612)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCc3cc2cc1F)=C\c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H34FN3/c1-5-32(6-2)14-13-30-27-18-26-24(17-25(27)29)16-23-12-11-22(28(23)31-26)15-20-7-9-21(10-8-20)19(3)4/h7-10,15-19,30H,5-6,11-14H2,1-4H3/b22-15+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544288
PNG
(CHEMBL4647503)
Show SMILES CCN(CC)CCNc1cc2nc(\C=C\c3ccc(C(C)C)c(O)c3)n(C)c(=O)c2cc1F
Show InChI InChI=1S/C26H33FN4O2/c1-6-31(7-2)13-12-28-23-16-22-20(15-21(23)27)26(33)30(5)25(29-22)11-9-18-8-10-19(17(3)4)24(32)14-18/h8-11,14-17,28,32H,6-7,12-13H2,1-5H3/b11-9+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of p...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544275
PNG
(CHEMBL4632583)
Show SMILES CC(C)c1ccc(\C=C2/CCn3c2nc2cc(NCCN(C)C)c(F)cc2c3=O)cc1
Show InChI InChI=1S/C25H29FN4O/c1-16(2)18-7-5-17(6-8-18)13-19-9-11-30-24(19)28-22-15-23(27-10-12-29(3)4)21(26)14-20(22)25(30)31/h5-8,13-16,27H,9-12H2,1-4H3/b19-13+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of p...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544269
PNG
(CHEMBL4642601)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1O)N(CC)CC
Show InChI InChI=1S/C28H36FN5O2/c1-5-32(6-2)14-12-30-25-18-24-22(17-23(25)29)28(36)34-13-11-20(27(34)31-24)15-19-9-10-21(16-26(19)35)33(7-3)8-4/h9-10,15-18,30,35H,5-8,11-14H2,1-4H3/b20-15+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of p...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544291
PNG
(CHEMBL4633662)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F
Show InChI InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+
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n/an/an/a 1.40E+3n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BLM H996A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal calorimetric titration ...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544291
PNG
(CHEMBL4633662)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F
Show InChI InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+
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n/an/an/a 760n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal cal...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50380071
PNG
(CHEMBL2012790)
Show SMILES OC(=O)[C@@H](Cc1ccccc1F)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C24H20FNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
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n/an/an/a 1.20E+5n/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Tie2 by SPR assay


Bioorg Med Chem Lett 22: 2388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.036
BindingDB Entry DOI: 10.7270/Q2GF0VHH
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50350465
PNG
(AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
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n/an/an/a 8.20E+4n/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Tie2 by SPR assay


Bioorg Med Chem Lett 22: 2388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.036
BindingDB Entry DOI: 10.7270/Q2GF0VHH
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544291
PNG
(CHEMBL4633662)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F
Show InChI InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+
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n/an/an/a 6.54E+3n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BLM I1168A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal calorimetric titration...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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n/an/an/a 5.90E+3n/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Tie2 by SPR assay


Bioorg Med Chem Lett 22: 2388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.036
BindingDB Entry DOI: 10.7270/Q2GF0VHH
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM22890
PNG
(2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...)
Show SMILES OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)
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n/an/an/a 9.00E+4n/an/an/an/an/a



Zhejiang Gongshang University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Tie2 by SPR assay


Bioorg Med Chem Lett 22: 2388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.036
BindingDB Entry DOI: 10.7270/Q2GF0VHH
More data for this
Ligand-Target Pair