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Compile Data Set for Download or QSAR

Found 263 hits with Last Name = 'scozzafava' and Initial = 'g'   
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
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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21n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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23n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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26n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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38n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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79n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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340n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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510n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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630n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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690n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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740n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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760n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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860n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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980n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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1.14E+3n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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1.20E+3n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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1.26E+3n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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1.47E+3n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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2.15E+3n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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6.13E+3n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O
Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
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8.01E+3n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


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More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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1.50E+4n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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6.80E+5n/an/an/an/an/an/an/an/a



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153099
PNG
(CHEMBL3775814)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C24H23N7O/c25-13-17-1-3-19(4-2-17)20-7-11-30(12-8-20)10-6-18-14-29-31(15-18)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,20H,6-8,10-12H2,(H,27,28,32)
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n/an/a 7n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153161
PNG
(CHEMBL3775545)
Show SMILES COc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C24H26N6O2/c1-32-20-4-2-18(3-5-20)19-8-12-29(13-9-19)11-7-17-14-28-30(15-17)23-22-21(6-10-25-23)24(31)27-16-26-22/h2-6,10,14-16,19H,7-9,11-13H2,1H3,(H,26,27,31)
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n/an/a 10n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153101
PNG
(CHEMBL3774665)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C24H26N6O3S/c1-34(32,33)20-4-2-18(3-5-20)19-8-12-29(13-9-19)11-7-17-14-28-30(15-17)23-22-21(6-10-25-23)24(31)27-16-26-22/h2-6,10,14-16,19H,7-9,11-13H2,1H3,(H,26,27,31)
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n/an/a 10n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50151919
PNG
(CHEMBL3775121)
Show SMILES Fc1ccc(C2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)c(F)c1
Show InChI InChI=1S/C23H22F2N6O/c24-17-1-2-18(20(25)11-17)16-5-9-30(10-6-16)8-4-15-12-29-31(13-15)22-21-19(3-7-26-22)23(32)28-14-27-21/h1-3,7,11-14,16H,4-6,8-10H2,(H,27,28,32)
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n/an/a 11n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin) using biotin-H3K27me3 (21 to 44 residues) as substrate preincubated for 15 mins followed by substrate addition m...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50153181
PNG
(CHEMBL3774692)
Show SMILES Nc1nc(cs1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
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n/an/a 12n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153181
PNG
(CHEMBL3774692)
Show SMILES Nc1nc(cs1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
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n/an/a 12n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153092
PNG
(CHEMBL3775894)
Show SMILES Clc1cc(Cl)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32)
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n/an/a 14n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50152029
PNG
(CHEMBL3775899)
Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C24H25ClN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32)
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n/an/a 14n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153094
PNG
(CHEMBL3775277)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccncc2)cn1
Show InChI InChI=1S/C22H23N7O/c30-22-19-3-9-24-21(20(19)25-15-26-22)29-14-16(13-27-29)4-10-28-11-5-18(6-12-28)17-1-7-23-8-2-17/h1-3,7-9,13-15,18H,4-6,10-12H2,(H,25,26,30)
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n/an/a 15n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153076
PNG
(CHEMBL3775516)
Show SMILES FC(F)(F)c1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C25H25F3N6O/c26-25(27,28)20-3-1-17(2-4-20)13-18-6-10-33(11-7-18)12-8-19-14-32-34(15-19)23-22-21(5-9-29-23)24(35)31-16-30-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,30,31,35)
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n/an/a 15n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153075
PNG
(CHEMBL3774940)
Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1Cl
Show InChI InChI=1S/C24H24Cl2N6O/c25-20-2-1-17(12-21(20)26)11-16-4-8-31(9-5-16)10-6-18-13-30-32(14-18)23-22-19(3-7-27-23)24(33)29-15-28-22/h1-3,7,12-16H,4-6,8-11H2,(H,28,29,33)
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n/an/a 15n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153073
PNG
(CHEMBL3775451)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(Cc3ccc4OCOc4c3)CC2)cn1
Show InChI InChI=1S/C25H26N6O3/c32-25-20-3-7-26-24(23(20)27-15-28-25)31-14-19(13-29-31)6-10-30-8-4-17(5-9-30)11-18-1-2-21-22(12-18)34-16-33-21/h1-3,7,12-15,17H,4-6,8-11,16H2,(H,27,28,32)
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n/an/a 16n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153077
PNG
(CHEMBL3775040)
Show SMILES Fc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C24H25FN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32)
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n/an/a 17n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4B


(Homo sapiens)
BDBM50153092
PNG
(CHEMBL3775894)
Show SMILES Clc1cc(Cl)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32)
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n/an/a 17n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50151917
PNG
(CHEMBL3775548)
Show SMILES FC(F)(F)c1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C24H23F3N6O/c25-24(26,27)19-3-1-2-18(12-19)17-6-10-32(11-7-17)9-5-16-13-31-33(14-16)22-21-20(4-8-28-22)23(34)30-15-29-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,29,30,34)
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n/an/a 18n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin) using biotin-H3K27me3 (21 to 44 residues) as substrate preincubated for 15 mins followed by substrate addition m...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153069
PNG
(CHEMBL3775953)
Show SMILES Fc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23FN6O/c24-19-3-1-17(2-4-19)18-7-11-29(12-8-18)10-6-16-13-28-30(14-16)22-21-20(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,18H,6-8,10-12H2,(H,26,27,31)
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n/an/a 18n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50153077
PNG
(CHEMBL3775040)
Show SMILES Fc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C24H25FN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32)
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n/an/a 21n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50153073
PNG
(CHEMBL3775451)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(Cc3ccc4OCOc4c3)CC2)cn1
Show InChI InChI=1S/C25H26N6O3/c32-25-20-3-7-26-24(23(20)27-15-28-25)31-14-19(13-29-31)6-10-30-8-4-17(5-9-30)11-18-1-2-21-22(12-18)34-16-33-21/h1-3,7,12-15,17H,4-6,8-11,16H2,(H,27,28,32)
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n/an/a 21n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153078
PNG
(CHEMBL3774392)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(Cc3ccccc3)CC2)cn1
Show InChI InChI=1S/C24H26N6O/c31-24-21-6-10-25-23(22(21)26-17-27-24)30-16-20(15-28-30)9-13-29-11-7-19(8-12-29)14-18-4-2-1-3-5-18/h1-6,10,15-17,19H,7-9,11-14H2,(H,26,27,31)
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n/an/a 21n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50153076
PNG
(CHEMBL3775516)
Show SMILES FC(F)(F)c1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C25H25F3N6O/c26-25(27,28)20-3-1-17(2-4-20)13-18-6-10-33(11-7-18)12-8-19-14-32-34(15-19)23-22-21(5-9-29-23)24(35)31-16-30-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,30,31,35)
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n/an/a 22n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50153075
PNG
(CHEMBL3774940)
Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1Cl
Show InChI InChI=1S/C24H24Cl2N6O/c25-20-2-1-17(12-21(20)26)11-16-4-8-31(9-5-16)10-6-18-13-30-32(14-18)23-22-19(3-7-27-23)24(33)29-15-28-22/h1-3,7,12-16H,4-6,8-11H2,(H,28,29,33)
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n/an/a 23n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50151923
PNG
(CHEMBL3774537)
Show SMILES Clc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)
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n/an/a 23n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin) using biotin-H3K27me3 (21 to 44 residues) as substrate preincubated for 15 mins followed by substrate addition m...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50152029
PNG
(CHEMBL3775899)
Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C24H25ClN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32)
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n/an/a 23n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50153099
PNG
(CHEMBL3775814)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C24H23N7O/c25-13-17-1-3-19(4-2-17)20-7-11-30(12-8-20)10-6-18-14-29-31(15-18)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,20H,6-8,10-12H2,(H,27,28,32)
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n/an/a 24n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153093
PNG
(CHEMBL3775668)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccs2)cn1
Show InChI InChI=1S/C21H22N6OS/c28-21-17-3-7-22-20(19(17)23-14-24-21)27-13-15(12-25-27)4-8-26-9-5-16(6-10-26)18-2-1-11-29-18/h1-3,7,11-14,16H,4-6,8-10H2,(H,23,24,28)
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n/an/a 26n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153072
PNG
(CHEMBL3775956)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(Cc3cccnc3)CC2)cn1
Show InChI InChI=1S/C23H25N7O/c31-23-20-3-8-25-22(21(20)26-16-27-23)30-15-19(14-28-30)6-11-29-9-4-17(5-10-29)12-18-2-1-7-24-13-18/h1-3,7-8,13-17H,4-6,9-12H2,(H,26,27,31)
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n/an/a 26n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
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