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Compile Data Set for Download or QSAR

Found 19 hits of kd for UniProtKB: P29375   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50245000
PNG
(CHEMBL4096760)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)[C@@H](OCCN1CCCCC1)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)/t21-/m0/s1
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n/an/an/a 60n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50245002
PNG
(CHEMBL4081571)
Show SMILES CN1CCCC1CCOC(c1cc2nccc(C(O)=O)c2[nH]1)c1ccccc1Cl
Show InChI InChI=1S/C22H24ClN3O3/c1-26-11-4-5-14(26)9-12-29-21(15-6-2-3-7-17(15)23)19-13-18-20(25-19)16(22(27)28)8-10-24-18/h2-3,6-8,10,13-14,21,25H,4-5,9,11-12H2,1H3,(H,27,28)
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n/an/an/a 150n/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to KDM5A ARID/PhD1 domain deletion mutant (1 to 588 residues) (unknown origin) by ITC assay


J Med Chem 61: 10588-10601 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01219
BindingDB Entry DOI: 10.7270/Q2R49TGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50245002
PNG
(CHEMBL4081571)
Show SMILES CN1CCCC1CCOC(c1cc2nccc(C(O)=O)c2[nH]1)c1ccccc1Cl
Show InChI InChI=1S/C22H24ClN3O3/c1-26-11-4-5-14(26)9-12-29-21(15-6-2-3-7-17(15)23)19-13-18-20(25-19)16(22(27)28)8-10-24-18/h2-3,6-8,10,13-14,21,25H,4-5,9,11-12H2,1H3,(H,27,28)
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n/an/an/a 150n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity at [3H]QNB and GppNHp radiolabeled muscarinic M2 receptor in rat heart.


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50245004
PNG
(CHEMBL4090351)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(OCCN1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)
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n/an/an/a 180n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50245005
PNG
(CHEMBL4070992)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(OCCN1CCC(F)(F)CC1)c1ccccc1Cl
Show InChI InChI=1S/C22H22ClF2N3O3/c23-16-4-2-1-3-14(16)20(31-12-11-28-9-6-22(24,25)7-10-28)18-13-17-19(27-18)15(21(29)30)5-8-26-17/h1-5,8,13,20,27H,6-7,9-12H2,(H,29,30)
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n/an/an/a 210n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50245037
PNG
(CHEMBL4062359)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)[C@H](OCCN1CCCCC1)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)/t21-/m1/s1
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n/an/an/a 220n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat heart.


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50245003
PNG
(CHEMBL4066179)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(OCCCN1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C23H26ClN3O3/c24-18-8-3-2-7-16(18)22(30-14-6-13-27-11-4-1-5-12-27)20-15-19-21(26-20)17(23(28)29)9-10-25-19/h2-3,7-10,15,22,26H,1,4-6,11-14H2,(H,28,29)
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n/an/an/a 250n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50468054
PNG
(CHEMBL4284220)
Show SMILES CN1CCCC1CCOC(c1cc2nccc(C(O)=O)c2s1)c1ccccc1Cl
Show InChI InChI=1S/C22H23ClN2O3S/c1-25-11-4-5-14(25)9-12-28-20(15-6-2-3-7-17(15)23)19-13-18-21(29-19)16(22(26)27)8-10-24-18/h2-3,6-8,10,13-14,20H,4-5,9,11-12H2,1H3,(H,26,27)
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n/an/an/a 260n/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to KDM5A ARID/PhD1 domain deletion mutant (1 to 588 residues) (unknown origin) by ITC assay


J Med Chem 61: 10588-10601 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01219
BindingDB Entry DOI: 10.7270/Q2R49TGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50245006
PNG
(CHEMBL4077310)
Show SMILES Cn1ccnc1CCOC(c1cc2nccc(C(O)=O)c2[nH]1)c1ccccc1Cl
Show InChI InChI=1S/C21H19ClN4O3/c1-26-10-9-24-18(26)7-11-29-20(13-4-2-3-5-15(13)22)17-12-16-19(25-17)14(21(27)28)6-8-23-16/h2-6,8-10,12,20,25H,7,11H2,1H3,(H,27,28)
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n/an/an/a 410n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50245001
PNG
(CHEMBL4059617)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(OCC1CCC(F)(F)CC1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClF2N2O3/c23-16-4-2-1-3-14(16)20(30-12-13-5-8-22(24,25)9-6-13)18-11-17-19(27-18)15(21(28)29)7-10-26-17/h1-4,7,10-11,13,20,27H,5-6,8-9,12H2,(H,28,29)
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n/an/an/a 470n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320423
PNG
(2-[(2-chlorophenyl)-propoxy- methyl]-1H-pyrrolo[3,...)
Show SMILES CCCOC(c1cc2nccc(C(O)=O)c2[nH]1)c1ccccc1Cl
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n/an/an/a 530n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50282115
PNG
(CHEMBL4165111)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc23)c(c1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r,c:88,90,93|
Show InChI InChI=1S/C87H136N26O26S/c1-42(71(123)104-58(21-16-33-95-85(91)92)75(127)106-56(19-11-14-32-89)76(128)109-61(41-114)79(131)110-68(45(4)115)80(132)98-39-65(121)97-40-66(122)103-55(18-10-13-31-88)73(125)100-44(3)83(135)136)99-81(133)69(46(5)116)111-78(130)60(29-30-64(90)120)107-74(126)57(20-12-15-35-113(7,8)9)108-82(134)70(47(6)117)112-77(129)59(22-17-34-96-86(93)94)105-72(124)43(2)101-87(140)102-48-23-26-51(54(36-48)84(137)138)67-52-27-24-49(118)37-62(52)139-63-38-50(119)25-28-53(63)67/h23-28,36-38,42-47,55-62,68-70,114-117H,10-22,29-35,39-41,88-89H2,1-9H3,(H29-,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,140)/p+1/t42-,43-,44-,45+,46+,47+,55-,56-,57-,58-,59-,60-,61-,62?,68-,69-,70-/m0/s1
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n/an/an/a 800n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin)


Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50282162
PNG
(CHEMBL4173016)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc23)c(c1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r,c:87,89,92|
Show InChI InChI=1S/C86H134N26O26S/c1-41(70(122)103-57(20-15-32-94-84(90)91)74(126)105-55(18-10-13-31-88)75(127)108-60(40-113)78(130)109-67(44(4)114)79(131)97-38-64(120)96-39-65(121)102-54(17-9-12-30-87)72(124)99-43(3)82(134)135)98-80(132)68(45(5)115)110-77(129)59(28-29-63(89)119)106-73(125)56(19-11-14-34-112(7)8)107-81(133)69(46(6)116)111-76(128)58(21-16-33-95-85(92)93)104-71(123)42(2)100-86(139)101-47-22-25-50(53(35-47)83(136)137)66-51-26-23-48(117)36-61(51)138-62-37-49(118)24-27-52(62)66/h22-27,35-37,41-46,54-61,67-69,113-118H,9-21,28-34,38-40,87-88H2,1-8H3,(H2,89,119)(H,96,120)(H,97,131)(H,98,132)(H,99,124)(H,102,121)(H,103,122)(H,104,123)(H,105,126)(H,106,125)(H,107,133)(H,108,127)(H,109,130)(H,110,129)(H,111,128)(H,134,135)(H,136,137)(H4,90,91,94)(H4,92,93,95)(H2,100,101,139)/t41-,42-,43-,44+,45+,46+,54-,55-,56-,57-,58-,59-,60-,61?,67-,68-,69-/m0/s1
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n/an/an/a 800n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin)


Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281089
PNG
(US10022354, Example 29)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1
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n/an/an/a 2.40E+3n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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n/an/an/a 2.70E+3n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50468052
PNG
(CHEMBL4283844)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCCN(CC1)C(=O)C=C
Show InChI InChI=1S/C20H24N6O3/c1-2-18(27)26-11-5-10-25(12-13-26)17-14-16(22-9-7-19(28)29)23-20(24-17)15-6-3-4-8-21-15/h2-4,6,8,14H,1,5,7,9-13H2,(H,28,29)(H,22,23,24)
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n/an/an/a 6.00E+3n/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to KDM5A ARID/PhD1 domain deletion mutant (1 to 588 residues) (unknown origin) by ITC assay


J Med Chem 61: 10588-10601 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01219
BindingDB Entry DOI: 10.7270/Q2R49TGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50468053
PNG
(CHEMBL4294426)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCCN(CC1)S(=O)(=O)C=C
Show InChI InChI=1S/C19H24N6O4S/c1-2-30(28,29)25-11-5-10-24(12-13-25)17-14-16(21-9-7-18(26)27)22-19(23-17)15-6-3-4-8-20-15/h2-4,6,8,14H,1,5,7,9-13H2,(H,26,27)(H,21,22,23)
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n/an/an/a 9.00E+3n/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to KDM5A ARID/PhD1 domain deletion mutant (1 to 588 residues) (unknown origin) by ITC assay


J Med Chem 61: 10588-10601 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01219
BindingDB Entry DOI: 10.7270/Q2R49TGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM60875
PNG
(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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n/an/an/a 1.20E+4n/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to KDM5A ARID/PhD1 domain deletion mutant (1 to 588 residues) (unknown origin) by ITC assay


J Med Chem 61: 10588-10601 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01219
BindingDB Entry DOI: 10.7270/Q2R49TGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281088
PNG
(US10022354, Example 28)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m0/s1
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n/an/an/a>1.20E+4n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...


J Med Chem 61: 3193-3208 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00261
BindingDB Entry DOI: 10.7270/Q2BC41Z0
More data for this
Ligand-Target Pair