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39 similar compounds to monomer 50250648

Compile data set for download or QSAR
Wt: 576.8
BDBM50257635
Purchase
Wt: 457.2
BDBM50182791
Wt: 457.2
BDBM50182792
Wt: 409.8
BDBM50192914
Wt: 440.3
BDBM50192915
Wt: 670.7
BDBM50205845
Wt: 373.8
BDBM50203219
Wt: 426.2
BDBM50192923
Wt: 379.8
BDBM50192919
Wt: 539.5
BDBM50227215
Wt: 511.4
BDBM50227216
Wt: 498.6
BDBM50227217
Wt: 553.5
BDBM50227218
Wt: 456.5
BDBM50227219
Wt: 482.4
BDBM50227220
Displayed 1 to 15 (of 39 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50257635,50182791,50182792,50192914,50192915,50205845,50203219,50192923,50192919,50227215,50227216,50227217,50227218,50227219,50227220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50205845
PNG
(CHEMBL3890575)
Show SMILES CN1Cc2cc(NC(=O)N(CC3CCC3)CCc3cccc(c3)C(Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1
Show InChI InChI=1S/C36H39FN6O4S/c1-42-21-25-17-26(9-13-32(25)48(46,47)28-10-11-28)41-36(45)43(20-23-5-2-6-23)15-14-22-4-3-7-24(16-22)33(35(42)44)40-27-8-12-29-30(18-27)31(37)19-39-34(29)38/h3-4,7-9,12-13,16-19,23,28,33,40H,2,5-6,10-11,14-15,20-21H2,1H3,(H2,38,39)(H,41,45)
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150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC


ACS Med Chem Lett 8: 67-72 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00375
BindingDB Entry DOI: 10.7270/Q20P120Q
More data for this
Ligand-Target Pair
Sortase A (SrtA)


(Staphylococcus aureus)
BDBM50257635
PNG
((-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE | (2R,3...)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C
Show InChI InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
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n/an/a 3.12E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Sortase A from Staphylococcus aureus


Bioorg Med Chem Lett 15: 4927-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.021
BindingDB Entry DOI: 10.7270/Q2QN69HD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50182791
PNG
(CHEMBL3818596)
Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cc(ccc1=O)-c1noc(=O)[nH]1
Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-14-3-1-11(7-15(14)21)17-13(8-22-5-6-28-17)10-25-9-12(2-4-16(25)26)18-23-19(27)29-24-18;/h1-4,7,9,13,17,22H,5-6,8,10H2,(H,23,24,27);1H/t13-,17-;/m0./s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cells assessed as [3H]-5-hydroxytryptamine reuptake incubated for 20 mins measured after 30 mins by topcoun...


Bioorg Med Chem 24: 3716-26 (2016)


Article DOI: 10.1016/j.bmc.2016.06.014
BindingDB Entry DOI: 10.7270/Q2NP26B4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50182792
PNG
(CHEMBL3819217)
Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1c(cccc1=O)-c1noc(=O)[nH]1
Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-13-5-4-11(8-14(13)21)17-12(9-22-6-7-28-17)10-25-15(2-1-3-16(25)26)18-23-19(27)29-24-18;/h1-5,8,12,17,22H,6-7,9-10H2,(H,23,24,27);1H/t12-,17-;/m0./s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cells assessed as [3H]-5-hydroxytryptamine reuptake incubated for 20 mins measured after 30 mins by topcoun...


Bioorg Med Chem 24: 3716-26 (2016)


Article DOI: 10.1016/j.bmc.2016.06.014
BindingDB Entry DOI: 10.7270/Q2NP26B4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50182791
PNG
(CHEMBL3818596)
Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cc(ccc1=O)-c1noc(=O)[nH]1
Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-14-3-1-11(7-15(14)21)17-13(8-22-5-6-28-17)10-25-9-12(2-4-16(25)26)18-23-19(27)29-24-18;/h1-4,7,9,13,17,22H,5-6,8,10H2,(H,23,24,27);1H/t13-,17-;/m0./s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DAT expressed in CHO cells assessed as [3H]-dopamine reuptake incubated for 60 mins measured after 30 mins by topcount method


Bioorg Med Chem 24: 3716-26 (2016)


Article DOI: 10.1016/j.bmc.2016.06.014
BindingDB Entry DOI: 10.7270/Q2NP26B4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50182792
PNG
(CHEMBL3819217)
Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1c(cccc1=O)-c1noc(=O)[nH]1
Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-13-5-4-11(8-14(13)21)17-12(9-22-6-7-28-17)10-25-15(2-1-3-16(25)26)18-23-19(27)29-24-18;/h1-5,8,12,17,22H,6-7,9-10H2,(H,23,24,27);1H/t12-,17-;/m0./s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DAT expressed in CHO cells assessed as [3H]-dopamine reuptake incubated for 60 mins measured after 30 mins by topcount method


Bioorg Med Chem 24: 3716-26 (2016)


Article DOI: 10.1016/j.bmc.2016.06.014
BindingDB Entry DOI: 10.7270/Q2NP26B4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203219
PNG
(CHEMBL3912431)
Show SMILES CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO3S/c1-21(25(22,23)19-13-7-15(20)8-14-19)16-9-11-18(12-10-16)24-17-5-3-2-4-6-17/h2-14H,1H3
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n/an/a 960n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50257635
PNG
((-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE | (2R,3...)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C
Show InChI InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
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n/an/a 2.65E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta (unknown origin) lyase activity


J Nat Prod 67: 899-901 (2004)


Article DOI: 10.1021/np030531b
BindingDB Entry DOI: 10.7270/Q2KH0N38
More data for this
Ligand-Target Pair
Sortase A (SrtA)


(Staphylococcus aureus)
BDBM50257635
PNG
((-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE | (2R,3...)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C
Show InChI InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
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n/an/a 3.17E+4n/an/an/an/an/an/a



M.V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged Staphylococcus aureus recombinant sortase delta N24 expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 2886-93 (2009)


Article DOI: 10.1016/j.bmc.2009.02.008
BindingDB Entry DOI: 10.7270/Q29C6ZBJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50257635
PNG
((-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE | (2R,3...)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C
Show InChI InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korean Institute of Oriental Medicine (KIOM)

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat lens aldose reductase


J Nat Prod 75: 267-70 (2012)


Article DOI: 10.1021/np200646e
BindingDB Entry DOI: 10.7270/Q2XS5WCH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192914
PNG
(CHEMBL3957699)
Show SMILES Cn1c(NCCc2ccc(cc2)-c2ncc(F)cn2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C21H17ClFN5O/c1-28-20(29)17-7-6-15(22)10-18(17)27-21(28)24-9-8-13-2-4-14(5-3-13)19-25-11-16(23)12-26-19/h2-7,10-12H,8-9H2,1H3,(H,24,27)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Sanofi R & D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 6-beta-hydroxytestosterone metabolite formation using testosterone as substrate incubated ...


Bioorg Med Chem Lett 26: 5290-5299 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.043
BindingDB Entry DOI: 10.7270/Q2H70HS6
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192915
PNG
(CHEMBL3948762)
Show SMILES Cn1c(NCCc2ccc(Oc3ccc(Cl)cc3)cc2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C23H19Cl2N3O2/c1-28-22(29)20-11-6-17(25)14-21(20)27-23(28)26-13-12-15-2-7-18(8-3-15)30-19-9-4-16(24)5-10-19/h2-11,14H,12-13H2,1H3,(H,26,27)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Sanofi R & D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 6-beta-hydroxytestosterone metabolite formation using testosterone as substrate incubated ...


Bioorg Med Chem Lett 26: 5290-5299 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.043
BindingDB Entry DOI: 10.7270/Q2H70HS6
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192919
PNG
(CHEMBL3905160)
Show SMILES Cn1c(NCCc2ccc(cc2)-n2cccn2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C20H18ClN5O/c1-25-19(27)17-8-5-15(21)13-18(17)24-20(25)22-11-9-14-3-6-16(7-4-14)26-12-2-10-23-26/h2-8,10,12-13H,9,11H2,1H3,(H,22,24)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Sanofi R & D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 min...


Bioorg Med Chem Lett 26: 5290-5299 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.043
BindingDB Entry DOI: 10.7270/Q2H70HS6
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192915
PNG
(CHEMBL3948762)
Show SMILES Cn1c(NCCc2ccc(Oc3ccc(Cl)cc3)cc2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C23H19Cl2N3O2/c1-28-22(29)20-11-6-17(25)14-21(20)27-23(28)26-13-12-15-2-7-18(8-3-15)30-19-9-4-16(24)5-10-19/h2-11,14H,12-13H2,1H3,(H,26,27)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Sanofi R & D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 min...


Bioorg Med Chem Lett 26: 5290-5299 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.043
BindingDB Entry DOI: 10.7270/Q2H70HS6
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192923
PNG
(CHEMBL3930206)
Show SMILES Cn1c(NCCc2ccc(cc2)-c2ncc(Cl)cn2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C21H17Cl2N5O/c1-28-20(29)17-7-6-15(22)10-18(17)27-21(28)24-9-8-13-2-4-14(5-3-13)19-25-11-16(23)12-26-19/h2-7,10-12H,8-9H2,1H3,(H,24,27)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Sanofi R & D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 6-beta-hydroxytestosterone metabolite formation using testosterone as substrate incubated ...


Bioorg Med Chem Lett 26: 5290-5299 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.043
BindingDB Entry DOI: 10.7270/Q2H70HS6
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192919
PNG
(CHEMBL3905160)
Show SMILES Cn1c(NCCc2ccc(cc2)-n2cccn2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C20H18ClN5O/c1-25-19(27)17-8-5-15(21)13-18(17)24-20(25)22-11-9-14-3-6-16(7-4-14)26-12-2-10-23-26/h2-8,10,12-13H,9,11H2,1H3,(H,22,24)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Sanofi R & D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 6-beta-hydroxytestosterone metabolite formation using testosterone as substrate incubated ...


Bioorg Med Chem Lett 26: 5290-5299 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.043
BindingDB Entry DOI: 10.7270/Q2H70HS6
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192923
PNG
(CHEMBL3930206)
Show SMILES Cn1c(NCCc2ccc(cc2)-c2ncc(Cl)cn2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C21H17Cl2N5O/c1-28-20(29)17-7-6-15(22)10-18(17)27-21(28)24-9-8-13-2-4-14(5-3-13)19-25-11-16(23)12-26-19/h2-7,10-12H,8-9H2,1H3,(H,24,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Sanofi R & D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 min...


Bioorg Med Chem Lett 26: 5290-5299 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.043
BindingDB Entry DOI: 10.7270/Q2H70HS6
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192914
PNG
(CHEMBL3957699)
Show SMILES Cn1c(NCCc2ccc(cc2)-c2ncc(F)cn2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C21H17ClFN5O/c1-28-20(29)17-7-6-15(22)10-18(17)27-21(28)24-9-8-13-2-4-14(5-3-13)19-25-11-16(23)12-26-19/h2-7,10-12H,8-9H2,1H3,(H,24,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Sanofi R & D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 min...


Bioorg Med Chem Lett 26: 5290-5299 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.043
BindingDB Entry DOI: 10.7270/Q2H70HS6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50227215
PNG
(CHEMBL66995)
Show SMILES Br.CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C(N)N(CC(=O)OC(C)(C)C)Cc2c1
Show InChI InChI=1S/C25H38N4O4/c1-25(2,3)33-23(31)17-29-16-18-15-20(12-13-21(18)27-24(29)26)32-14-8-11-22(30)28(4)19-9-6-5-7-10-19/h12-13,15,19H,5-11,14,16-17H2,1-4H3,(H2,26,27)
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n/an/a 430n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against platelet phosphodiesterase (PDE)


J Med Chem 31: 2145-52 (1988)


Article DOI: 10.1021/jm00119a015
BindingDB Entry DOI: 10.7270/Q2R49T05
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50227216
PNG
(CHEMBL69307)
Show SMILES Br.CCOC(=O)CN1Cc2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2N=C1N
Show InChI InChI=1S/C23H34N4O4/c1-3-30-22(29)16-27-15-17-14-19(11-12-20(17)25-23(27)24)31-13-7-10-21(28)26(2)18-8-5-4-6-9-18/h11-12,14,18H,3-10,13,15-16H2,1-2H3,(H2,24,25)
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n/an/a 9.30n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against platelet phosphodiesterase (PDE)


J Med Chem 31: 2145-52 (1988)


Article DOI: 10.1021/jm00119a015
BindingDB Entry DOI: 10.7270/Q2R49T05
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50227217
PNG
(CHEMBL302049)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3N(CC(=O)N3COC(=O)C(C)(C)C)Cc2c1
Show InChI InChI=1S/C27H38N4O5/c1-27(2,3)25(34)36-18-31-24(33)17-30-16-19-15-21(12-13-22(19)28-26(30)31)35-14-8-11-23(32)29(4)20-9-6-5-7-10-20/h12-13,15,20H,5-11,14,16-18H2,1-4H3
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n/an/a 150n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against platelet phosphodiesterase (PDE)


J Med Chem 31: 2145-52 (1988)


Article DOI: 10.1021/jm00119a015
BindingDB Entry DOI: 10.7270/Q2R49T05
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50227218
PNG
(CHEMBL305411)
Show SMILES Br.CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C(N)N(CC(=O)OCC(C)(C)C)Cc2c1
Show InChI InChI=1S/C26H40N4O4/c1-26(2,3)18-34-24(32)17-30-16-19-15-21(12-13-22(19)28-25(30)27)33-14-8-11-23(31)29(4)20-9-6-5-7-10-20/h12-13,15,20H,5-11,14,16-18H2,1-4H3,(H2,27,28)
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n/an/a 35n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against platelet phosphodiesterase (PDE)


J Med Chem 31: 2145-52 (1988)


Article DOI: 10.1021/jm00119a015
BindingDB Entry DOI: 10.7270/Q2R49T05
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50227219
PNG
(CHEMBL68848)
Show SMILES CCOC(=O)C(CCOc1ccc2N=C3NC(=O)CN3Cc2c1)C(=O)N(C)C1CCCCC1
Show InChI InChI=1S/C24H32N4O5/c1-3-32-23(31)19(22(30)27(2)17-7-5-4-6-8-17)11-12-33-18-9-10-20-16(13-18)14-28-15-21(29)26-24(28)25-20/h9-10,13,17,19H,3-8,11-12,14-15H2,1-2H3,(H,25,26,29)
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n/an/a 6.10n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against platelet phosphodiesterase (PDE)


J Med Chem 31: 2145-52 (1988)


Article DOI: 10.1021/jm00119a015
BindingDB Entry DOI: 10.7270/Q2R49T05
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50227220
PNG
(CHEMBL69524)
Show SMILES Br.CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C(N)N(CC(N)=O)Cc2c1
Show InChI InChI=1S/C21H31N5O3/c1-25(16-6-3-2-4-7-16)20(28)8-5-11-29-17-9-10-18-15(12-17)13-26(14-19(22)27)21(23)24-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H2,22,27)(H2,23,24)
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n/an/a 120n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against platelet phosphodiesterase (PDE)


J Med Chem 31: 2145-52 (1988)


Article DOI: 10.1021/jm00119a015
BindingDB Entry DOI: 10.7270/Q2R49T05
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50182791
PNG
(CHEMBL3818596)
Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cc(ccc1=O)-c1noc(=O)[nH]1
Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-14-3-1-11(7-15(14)21)17-13(8-22-5-6-28-17)10-25-9-12(2-4-16(25)26)18-23-19(27)29-24-18;/h1-4,7,9,13,17,22H,5-6,8,10H2,(H,23,24,27);1H/t13-,17-;/m0./s1
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n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth...


Bioorg Med Chem 24: 3716-26 (2016)


Article DOI: 10.1016/j.bmc.2016.06.014
BindingDB Entry DOI: 10.7270/Q2NP26B4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50182792
PNG
(CHEMBL3819217)
Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1c(cccc1=O)-c1noc(=O)[nH]1
Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-13-5-4-11(8-14(13)21)17-12(9-22-6-7-28-17)10-25-15(2-1-3-16(25)26)18-23-19(27)29-24-18;/h1-5,8,12,17,22H,6-7,9-10H2,(H,23,24,27);1H/t12-,17-;/m0./s1
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n/an/a 100n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth...


Bioorg Med Chem 24: 3716-26 (2016)


Article DOI: 10.1016/j.bmc.2016.06.014
BindingDB Entry DOI: 10.7270/Q2NP26B4
More data for this
Ligand-Target Pair