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6 similar compounds to monomer 50153070

Wt: 418.4
BDBM23690
Wt: 469.5
BDBM50153063
Wt: 469.5
BDBM50153064
Wt: 486.6
BDBM50153046
Wt: 486.6
BDBM50153049
Wt: 359.4
BDBM50153068

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 23690,50153063,50153064,50153046,50153049,50153068   
Target
(Institution)
LigandTarget
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))
BDBM50153063
PNG
(CHEMBL3780922)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)noc2c1
Show InChI InChI=1/C28H31N5O2/c29-17-19-6-8-20(9-7-19)28(34)32-25(14-18-4-2-1-3-5-18)24-15-22(12-13-31-24)21-10-11-23-26(16-21)35-33-27(23)30/h1-5,10-13,15-16,19-20,25H,6-9,14,17,29H2,(H2,30,33)(H,32,34)/t19-,20-,25-/s2
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3.80n/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...


Bioorg Med Chem 24: 2257-72 (2016)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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6.30n/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...


Bioorg Med Chem 24: 2257-72 (2016)

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


(Homo sapiens (human))
BDBM50153046
PNG
(CHEMBL3780777)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(ccn1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)26-18-24(15-16-31-26)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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7.90n/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...


Bioorg Med Chem 24: 2257-72 (2016)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50153064
PNG
(CHEMBL3780285)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)noc2c1
Show InChI InChI=1/C28H31N5O2/c29-17-19-6-8-20(9-7-19)28(34)32-25(14-18-4-2-1-3-5-18)24-15-22(12-13-31-24)21-10-11-23-26(16-21)35-33-27(23)30/h1-5,10-13,15-16,19-20,25H,6-9,14,17,29H2,(H2,30,33)(H,32,34)/t19-,20-,25?
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9.20n/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...


Bioorg Med Chem 24: 2257-72 (2016)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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42n/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


Bioorg Med Chem 24: 2257-72 (2016)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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101n/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


Bioorg Med Chem 24: 2257-72 (2016)

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


(Homo sapiens (human))
BDBM23690
PNG
(2-{[6-(2-hydroxyethoxy)-4,8-bis(piperidin-1-yl)pyr...)
Show SMILES OCCOc1nc(N2CCCCC2)c2nc(OCCO)nc(N3CCCCC3)c2n1
Show InChI InChI=1S/C20H30N6O4/c27-11-13-29-19-22-16-15(17(23-19)25-7-3-1-4-8-25)21-20(30-14-12-28)24-18(16)26-9-5-2-6-10-26/h27-28H,1-14H2
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Article
PubMed
325 -8.76 5.75E+3n/an/an/an/a7.422



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...


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


(Homo sapiens (human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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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...


Bioorg Med Chem 24: 2257-72 (2016)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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>1.22E+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...


Bioorg Med Chem 24: 2257-72 (2016)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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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...


Bioorg Med Chem 24: 2257-72 (2016)

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


(Homo sapiens (Human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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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


Bioorg Med Chem 24: 2257-72 (2016)

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


(Homo sapiens (human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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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


Bioorg Med Chem 24: 2257-72 (2016)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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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


Bioorg Med Chem 24: 2257-72 (2016)

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


(Homo sapiens (human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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PubMed
>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


Bioorg Med Chem 24: 2257-72 (2016)

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


(Homo sapiens (human))
BDBM50153049
PNG
(CHEMBL3781788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H34N4O3/c1-36-29(35)32-25-13-11-22(12-14-25)24-15-16-31-26(18-24)27(17-20-5-3-2-4-6-20)33-28(34)23-9-7-21(19-30)8-10-23/h2-6,11-16,18,21,23,27H,7-10,17,19,30H2,1H3,(H,32,35)(H,33,34)/t21-,23-,27-/s2
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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...


Bioorg Med Chem 24: 2257-72 (2016)

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


(Homo sapiens (Human))
BDBM50153068
PNG
(CHEMBL2094865 | DNDI1417643)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C16H13N3O3S2/c1-24(21,22)12-6-4-5-11(9-12)15(20)19-16-18-14(10-23-16)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,19,20)
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PubMed
n/an/a 2.97E+4n/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...


J Med Chem 59: 1388-409 (2016)

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


(Homo sapiens)
BDBM50153068
PNG
(CHEMBL2094865 | DNDI1417643)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C16H13N3O3S2/c1-24(21,22)12-6-4-5-11(9-12)15(20)19-16-18-14(10-23-16)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,19,20)
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PubMed
n/an/a 7.19E+4n/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...


J Med Chem 59: 1388-409 (2016)

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


(Homo sapiens (Human))
BDBM50153068
PNG
(CHEMBL2094865 | DNDI1417643)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C16H13N3O3S2/c1-24(21,22)12-6-4-5-11(9-12)15(20)19-16-18-14(10-23-16)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,19,20)
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PubMed
n/an/a 1.67E+4n/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 ...


J Med Chem 59: 1388-409 (2016)

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


(Homo sapiens)
BDBM50153068
PNG
(CHEMBL2094865 | DNDI1417643)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C16H13N3O3S2/c1-24(21,22)12-6-4-5-11(9-12)15(20)19-16-18-14(10-23-16)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.13E+4n/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...


J Med Chem 59: 1388-409 (2016)

More data for this
Ligand-Target Pair