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11 similar compounds to monomer 50153072

Wt: 728.8
BDBM23655
Wt: 640.7
BDBM23656
Wt: 548.6
BDBM23688
Wt: 460.5
BDBM23689
Wt: 468.5
BDBM50153060
Wt: 479.6
BDBM50153061
Wt: 486.6
BDBM50153047
Wt: 483.6
BDBM50153056
Wt: 469.5
BDBM50153057
Wt: 418.4
BDBM50153069
Wt: 444.5
BDBM50153074

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 23655,23656,23688,23689,50153060,50153061,50153047,50153056,50153057,50153069,50153074   
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
Coagulation factor XI


(Homo sapiens (human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human coagulation factor 11a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten eq...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (human))
BDBM50153047
PNG
(CHEMBL3780030)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cncc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1S/C29H34N4O3/c1-36-29(35)32-26-13-11-22(12-14-26)24-16-25(19-31-18-24)27(15-20-5-3-2-4-6-20)33-28(34)23-9-7-21(17-30)8-10-23/h2-6,11-14,16,18-19,21,23,27H,7-10,15,17,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human coagulation factor 11a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten eq...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50153060
PNG
(CHEMBL3780751)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(N)c2c1
Show InChI InChI=1S/C28H32N6O/c29-17-19-6-8-20(9-7-19)28(35)32-26(14-18-4-2-1-3-5-18)25-16-22(12-13-31-25)21-10-11-24-23(15-21)27(30)34-33-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,32,35)(H3,30,33,34)/t19-,20-,26?
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53n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human coagulation factor 11a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten eq...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50153056
PNG
(CHEMBL3780501)
Show SMILES COc1n[nH]c2ccc(cc12)-c1ccnc(c1)C(Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1S/C29H33N5O2/c1-36-29-24-16-22(11-12-25(24)33-34-29)23-13-14-31-26(17-23)27(15-19-5-3-2-4-6-19)32-28(35)21-9-7-20(18-30)8-10-21/h2-6,11-14,16-17,20-21,27H,7-10,15,18,30H2,1H3,(H,32,35)(H,33,34)/t20-,21-,27?
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87n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human coagulation factor 11a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten eq...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50153061
PNG
(CHEMBL3781468)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)nccc2c1
Show InChI InChI=1S/C30H33N5O/c31-19-21-6-8-22(9-7-21)30(36)35-28(16-20-4-2-1-3-5-20)27-18-24(12-14-33-27)23-10-11-26-25(17-23)13-15-34-29(26)32/h1-5,10-15,17-18,21-22,28H,6-9,16,19,31H2,(H2,32,34)(H,35,36)/t21-,22-,28?
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144n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human coagulation factor 11a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten eq...


Citation and Details
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis


Citation and Details
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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999n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation trypsin assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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>9.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analy...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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>1.26E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation thrombin assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysi...


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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>1.41E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human urokinase assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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>1.52E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 7a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analys...


Citation and Details
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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>2.19E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human TPA assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis


Citation and Details
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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>2.21E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasmin assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis


Citation and Details
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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>3.02E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50153057
PNG
(CHEMBL3780324)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2[nH]nc(O)c2c1
Show InChI InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)27(34)31-26(14-18-4-2-1-3-5-18)25-16-22(12-13-30-25)21-10-11-24-23(15-21)28(35)33-32-24/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29H2,(H,31,34)(H2,32,33,35)/t19-,20-,26-/m0/s1
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>3.49E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analys...


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 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153074
PNG
(CHEMBL3775465)
Show SMILES COc1cccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)c1
Show InChI InChI=1S/C25H28N6O2/c1-33-21-4-2-3-19(14-21)13-18-6-10-30(11-7-18)12-8-20-15-29-31(16-20)24-23-22(5-9-26-24)25(32)28-17-27-23/h2-5,9,14-18H,6-8,10-13H2,1H3,(H,27,28,32)
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n/an/a 28n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23655
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dibenzyla...)
Show SMILES OCCN(CCO)c1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(nc(N(Cc3ccccc3)Cc3ccccc3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C42H48N8O4/c51-25-21-47(22-26-52)41-44-38-37(39(45-41)49(29-33-13-5-1-6-14-33)30-34-15-7-2-8-16-34)43-42(48(23-27-53)24-28-54)46-40(38)50(31-35-17-9-3-10-18-35)32-36-19-11-4-12-20-36/h1-20,51-54H,21-32H2
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n/an/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center



Assay Description
The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...


J Med Chem 50: 3906-20 (2007)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153074
PNG
(CHEMBL3775465)
Show SMILES COc1cccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)c1
Show InChI InChI=1S/C25H28N6O2/c1-33-21-4-2-3-19(14-21)13-18-6-10-30(11-7-18)12-8-20-15-29-31(16-20)24-23-22(5-9-26-24)25(32)28-17-27-23/h2-5,9,14-18H,6-8,10-13H2,1H3,(H,27,28,32)
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n/an/a 540n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


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


(Homo sapiens)
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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MMDB

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n/an/a 52n/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)
BDBM50153074
PNG
(CHEMBL3775465)
Show SMILES COc1cccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)c1
Show InChI InChI=1S/C25H28N6O2/c1-33-21-4-2-3-19(14-21)13-18-6-10-30(11-7-18)12-8-20-15-29-31(16-20)24-23-22(5-9-26-24)25(32)28-17-27-23/h2-5,9,14-18H,6-8,10-13H2,1H3,(H,27,28,32)
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n/an/a 41n/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 4A


(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 175n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


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


(Homo sapiens)
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 61n/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 4B


(Homo sapiens)
BDBM50153074
PNG
(CHEMBL3775465)
Show SMILES COc1cccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)c1
Show InChI InChI=1S/C25H28N6O2/c1-33-21-4-2-3-19(14-21)13-18-6-10-30(11-7-18)12-8-20-15-29-31(16-20)24-23-22(5-9-26-24)25(32)28-17-27-23/h2-5,9,14-18H,6-8,10-13H2,1H3,(H,27,28,32)
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n/an/a 149n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23656
PNG
(2-{[4,8-bis(dibenzylamino)-6-[(2-hydroxyethyl)amin...)
Show SMILES OCCNc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(NCCO)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1
Show InChI InChI=1S/C38H40N8O2/c47-23-21-39-37-42-34-33(35(43-37)45(25-29-13-5-1-6-14-29)26-30-15-7-2-8-16-30)41-38(40-22-24-48)44-36(34)46(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-20,47-48H,21-28H2,(H,39,42,43)(H,40,41,44)
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PubMed
n/an/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center



Assay Description
The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...


J Med Chem 50: 3906-20 (2007)

More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23688
PNG
(2-{[4,8-bis(benzylamino)-6-[bis(2-hydroxyethyl)ami...)
Show SMILES OCCN(CCO)c1nc(NCc2ccccc2)c2nc(nc(NCc3ccccc3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C28H36N8O4/c37-15-11-35(12-16-38)27-32-24-23(25(33-27)29-19-21-7-3-1-4-8-21)31-28(36(13-17-39)14-18-40)34-26(24)30-20-22-9-5-2-6-10-22/h1-10,37-40H,11-20H2,(H,29,32,33)(H,30,31,34)
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PubMed
n/an/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center



Assay Description
The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...


J Med Chem 50: 3906-20 (2007)

More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23689
PNG
(2-{[4,8-bis(benzylamino)-6-[(2-hydroxyethyl)amino]...)
Show SMILES OCCNc1nc(NCc2ccccc2)c2nc(NCCO)nc(NCc3ccccc3)c2n1
Show InChI InChI=1S/C24H28N8O2/c33-13-11-25-23-30-20-19(21(31-23)27-15-17-7-3-1-4-8-17)29-24(26-12-14-34)32-22(20)28-16-18-9-5-2-6-10-18/h1-10,33-34H,11-16H2,(H2,25,27,30,31)(H2,26,28,29,32)
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Article
PubMed
n/an/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center



Assay Description
The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...


J Med Chem 50: 3906-20 (2007)

More data for this
Ligand-Target Pair