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14 similar compounds to monomer 50201208

Compile data set for download or QSAR
Wt: 422.5
BDBM50201176
Wt: 458.4
BDBM50201183
Wt: 401.5
BDBM50201186
Wt: 405.9
BDBM50201187
Wt: 401.5
BDBM50201191
Wt: 497.3
BDBM50201196
Wt: 405.9
BDBM50201200
Wt: 386.5
BDBM50201203
Wt: 389.4
BDBM50201204
Wt: 439.4
BDBM50201207
Wt: 407.4
BDBM50201209
Wt: 468.5
BDBM50192775
Wt: 487.5
BDBM50201212

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50201176,50201183,50201186,50201187,50201191,50201196,50201200,50201203,50201204,50201207,50201209,50192775,50201212   
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
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50201212
PNG
(CHEMBL3974129)
Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...


ACS Med Chem Lett 7: 1073-1076 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50201212
PNG
(CHEMBL3974129)
Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1
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11n/an/an/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


ACS Med Chem Lett 7: 1073-1076 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (human))
BDBM50201212
PNG
(CHEMBL3974129)
Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1
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20n/an/an/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L


ACS Med Chem Lett 7: 1073-1076 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50201212
PNG
(CHEMBL3974129)
Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1
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34n/an/an/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


ACS Med Chem Lett 7: 1073-1076 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1
More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50201191
PNG
(CHEMBL3951442)
Show SMILES COc1cccc(Cn2cc(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)c1
Show InChI InChI=1S/C20H27N5O2S/c1-27-16-8-5-6-14(10-16)11-25-12-15(23-24-25)7-3-2-4-9-18-19-17(13-28-18)21-20(26)22-19/h5-6,8,10,12,17-19H,2-4,7,9,11,13H2,1H3,(H2,21,22,26)/t17-,18-,19-/m0/s1
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>1.60E+4n/an/an/an/an/an/an/an/a



University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by l...


ACS Med Chem Lett 7: 1068-1072 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00248
BindingDB Entry DOI: 10.7270/Q2QV3PGF
More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50201196
PNG
(CHEMBL3961751)
Show SMILES Ic1cccc(Cn2cc(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)c1
Show InChI InChI=1S/C19H24IN5OS/c20-14-6-4-5-13(9-14)10-25-11-15(23-24-25)7-2-1-3-8-17-18-16(12-27-17)21-19(26)22-18/h4-6,9,11,16-18H,1-3,7-8,10,12H2,(H2,21,22,26)/t16-,17-,18-/m0/s1
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>1.60E+4n/an/an/an/an/an/an/an/a



University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by l...


ACS Med Chem Lett 7: 1068-1072 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00248
BindingDB Entry DOI: 10.7270/Q2QV3PGF
More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50201200
PNG
(CHEMBL3905875)
Show SMILES Clc1cccc(Cn2cc(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)c1
Show InChI InChI=1S/C19H24ClN5OS/c20-14-6-4-5-13(9-14)10-25-11-15(23-24-25)7-2-1-3-8-17-18-16(12-27-17)21-19(26)22-18/h4-6,9,11,16-18H,1-3,7-8,10,12H2,(H2,21,22,26)/t16-,17-,18-/m0/s1
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>1.60E+4n/an/an/an/an/an/an/an/a



University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by l...


ACS Med Chem Lett 7: 1068-1072 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00248
BindingDB Entry DOI: 10.7270/Q2QV3PGF
More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50201203
PNG
(CHEMBL3905724)
Show SMILES Nc1cccc(Cn2cc(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)c1
Show InChI InChI=1S/C19H26N6OS/c20-14-6-4-5-13(9-14)10-25-11-15(23-24-25)7-2-1-3-8-17-18-16(12-27-17)21-19(26)22-18/h4-6,9,11,16-18H,1-3,7-8,10,12,20H2,(H2,21,22,26)/t16-,17-,18-/m0/s1
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>1.60E+4n/an/an/an/an/an/an/an/a



University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by l...


ACS Med Chem Lett 7: 1068-1072 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00248
BindingDB Entry DOI: 10.7270/Q2QV3PGF
More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50201187
PNG
(CHEMBL3976601)
Show SMILES Clc1ccccc1Cn1cc(CCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nn1
Show InChI InChI=1S/C19H24ClN5OS/c20-15-8-5-4-6-13(15)10-25-11-14(23-24-25)7-2-1-3-9-17-18-16(12-27-17)21-19(26)22-18/h4-6,8,11,16-18H,1-3,7,9-10,12H2,(H2,21,22,26)/t16-,17-,18-/m0/s1
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>1.60E+4n/an/an/an/an/an/an/an/a



University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by l...


ACS Med Chem Lett 7: 1068-1072 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00248
BindingDB Entry DOI: 10.7270/Q2QV3PGF
More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50201204
PNG
(CHEMBL3927537)
Show SMILES Fc1ccccc1Cn1cc(CCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nn1
Show InChI InChI=1S/C19H24FN5OS/c20-15-8-5-4-6-13(15)10-25-11-14(23-24-25)7-2-1-3-9-17-18-16(12-27-17)21-19(26)22-18/h4-6,8,11,16-18H,1-3,7,9-10,12H2,(H2,21,22,26)/t16-,17-,18-/m0/s1
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>1.60E+4n/an/an/an/an/an/an/an/a



University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by l...


ACS Med Chem Lett 7: 1068-1072 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00248
BindingDB Entry DOI: 10.7270/Q2QV3PGF
More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50201209
PNG
(CHEMBL3914868)
Show SMILES Fc1ccc(Cn2cc(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)cc1F
Show InChI InChI=1S/C19H23F2N5OS/c20-14-7-6-12(8-15(14)21)9-26-10-13(24-25-26)4-2-1-3-5-17-18-16(11-28-17)22-19(27)23-18/h6-8,10,16-18H,1-5,9,11H2,(H2,22,23,27)/t16-,17-,18-/m0/s1
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>1.60E+4n/an/an/an/an/an/an/an/a



University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by l...


ACS Med Chem Lett 7: 1068-1072 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00248
BindingDB Entry DOI: 10.7270/Q2QV3PGF
More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50201186
PNG
(CHEMBL3923732)
Show SMILES COc1ccccc1Cn1cc(CCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nn1
Show InChI InChI=1S/C20H27N5O2S/c1-27-17-9-6-5-7-14(17)11-25-12-15(23-24-25)8-3-2-4-10-18-19-16(13-28-18)21-20(26)22-19/h5-7,9,12,16,18-19H,2-4,8,10-11,13H2,1H3,(H2,21,22,26)/t16-,18-,19-/m0/s1
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>1.60E+4n/an/an/an/an/an/an/an/a



University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by l...


ACS Med Chem Lett 7: 1068-1072 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00248
BindingDB Entry DOI: 10.7270/Q2QV3PGF
More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50201207
PNG
(CHEMBL3910734)
Show SMILES FC(F)(F)c1cccc(Cn2cc(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)c1
Show InChI InChI=1S/C20H24F3N5OS/c21-20(22,23)14-6-4-5-13(9-14)10-28-11-15(26-27-28)7-2-1-3-8-17-18-16(12-30-17)24-19(29)25-18/h4-6,9,11,16-18H,1-3,7-8,10,12H2,(H2,24,25,29)/t16-,17-,18-/m0/s1
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>1.60E+4n/an/an/an/an/an/an/an/a



University of Adelaide

Curated by ChEMBL


Assay Description
Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by l...


ACS Med Chem Lett 7: 1068-1072 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00248
BindingDB Entry DOI: 10.7270/Q2QV3PGF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192775
PNG
(CHEMBL3915493)
Show SMILES CC(=O)N1CC2CCC(C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1S/C22H24N6O2S2/c1-12-20(32-13(2)24-12)18-11-31-22(25-18)26-19-7-4-15(8-23-19)21(30)28-16-5-6-17(28)10-27(9-16)14(3)29/h4,7-8,11,16-17H,5-6,9-10H2,1-3H3,(H,23,25,26)
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n/an/a 32n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50201183
PNG
(CHEMBL3959141)
Show SMILES COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ccccn1)C(F)(F)F
Show InChI InChI=1S/C23H17F3N2O3S/c1-31-21-14-16(23(24,25)26)8-10-20(21)19-6-4-5-15-13-17(9-11-18(15)19)32(29,30)28-22-7-2-3-12-27-22/h2-14H,1H3,(H,27,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inhibition of sodium current at holding potential of -125 mV measured for 3 to 5 min...


ACS Med Chem Lett 7: 1062-1067 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00243
BindingDB Entry DOI: 10.7270/Q2VM4F65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201176
PNG
(CHEMBL3943243)
Show SMILES COc1ccccc1-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
Show InChI InChI=1S/C25H34N4O2/c1-31-23-14-7-6-13-20(23)22-18-29-16-10-8-12-19(30)11-5-3-2-4-9-15-26-25-27-17-21(22)24(29)28-25/h6-7,13-14,17-19,30H,2-5,8-12,15-16H2,1H3,(H,26,27,28)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50201176
PNG
(CHEMBL3943243)
Show SMILES COc1ccccc1-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
Show InChI InChI=1S/C25H34N4O2/c1-31-23-14-7-6-13-20(23)22-18-29-16-10-8-12-19(30)11-5-3-2-4-9-15-26-25-27-17-21(22)24(29)28-25/h6-7,13-14,17-19,30H,2-5,8-12,15-16H2,1H3,(H,26,27,28)
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n/an/a 550n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201176
PNG
(CHEMBL3943243)
Show SMILES COc1ccccc1-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
Show InChI InChI=1S/C25H34N4O2/c1-31-23-14-7-6-13-20(23)22-18-29-16-10-8-12-19(30)11-5-3-2-4-9-15-26-25-27-17-21(22)24(29)28-25/h6-7,13-14,17-19,30H,2-5,8-12,15-16H2,1H3,(H,26,27,28)
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n/an/a 170n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MerTK (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus)
BDBM50192775
PNG
(CHEMBL3915493)
Show SMILES CC(=O)N1CC2CCC(C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1S/C22H24N6O2S2/c1-12-20(32-13(2)24-12)18-11-31-22(25-18)26-19-7-4-15(8-23-19)21(30)28-16-5-6-17(28)10-27(9-16)14(3)29/h4,7-8,11,16-17H,5-6,9-10H2,1-3H3,(H,23,25,26)
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n/an/a 600n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50201176
PNG
(CHEMBL3943243)
Show SMILES COc1ccccc1-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
Show InChI InChI=1S/C25H34N4O2/c1-31-23-14-7-6-13-20(23)22-18-29-16-10-8-12-19(30)11-5-3-2-4-9-15-26-25-27-17-21(22)24(29)28-25/h6-7,13-14,17-19,30H,2-5,8-12,15-16H2,1H3,(H,26,27,28)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50201176
PNG
(CHEMBL3943243)
Show SMILES COc1ccccc1-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
Show InChI InChI=1S/C25H34N4O2/c1-31-23-14-7-6-13-20(23)22-18-29-16-10-8-12-19(30)11-5-3-2-4-9-15-26-25-27-17-21(22)24(29)28-25/h6-7,13-14,17-19,30H,2-5,8-12,15-16H2,1H3,(H,26,27,28)
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n/an/a 910n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair