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14 similar compounds to monomer 50192837

Compile data set for download or QSAR
Wt: 347.3
BDBM50192841
Wt: 317.3
BDBM50192843
Wt: 455.5
BDBM50192803
Wt: 441.5
BDBM50192812
Wt: 512.6
BDBM50192822
Wt: 163.1
BDBM50192839
Wt: 526.5
BDBM50192804
Wt: 536.5
BDBM50192807
Wt: 508.7
BDBM50192819
Wt: 326.3
BDBM50197893
Wt: 439.5
BDBM50192802
Wt: 483.6
BDBM50192818
Wt: 512.6
BDBM50192827
Wt: 573.6
BDBM50218616

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50192841,50192843,50192803,50192812,50192822,50192839,50192804,50192807,50192819,50197893,50192802,50192818,50192827,50218616   
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
Oxytocin receptor


(HEK293)
BDBM50218616
PNG
(CHEMBL278093)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1=O
Show InChI InChI=1S/C32H39N5O5/c1-21(38)11-10-18-27(39)35-31-32(42)37(20-28(40)34-25(30(33)41)19-22-12-4-2-5-13-22)26-17-9-8-16-24(26)29(36-31)23-14-6-3-7-15-23/h3,6-9,14-17,22,25,31H,2,4-5,10-13,18-20H2,1H3,(H2,33,41)(H,34,40)(H,35,39)/t25-,31?/m0/s1
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50192841
PNG
(CHEMBL3358969)
Show SMILES COc1cc(OC)cc(c1)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H17N3O3/c1-25-13-7-12(8-14(9-13)26-2)19-20(24)22-11-18(23-19)16-10-21-17-6-4-3-5-15(16)17/h3-11,21H,1-2H3,(H,22,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192802
PNG
(CHEMBL3927993)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CC(=O)C3)n1
Show InChI InChI=1S/C21H21N5O2S2/c1-11-19(30-12(2)23-11)17-10-29-21(24-17)25-18-6-3-13(9-22-18)20(28)26-14-4-5-15(26)8-16(27)7-14/h3,6,9-10,14-15H,4-5,7-8H2,1-2H3,(H,22,24,25)
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n/an/a 24n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV4 expressed in CHO-K1 cells assessed as blockade of 1000 nM 4alphaPDD-induced calcium mobilization by FL...


Bioorg Med Chem Lett 26: 4930-4935 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.013
BindingDB Entry DOI: 10.7270/Q2BC41H5
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-2-1-3-11(8-10)22(23)24)20-14(19-12)21-6-4-16-5-7-21/h1-3,8,16H,4-7H2,(H,17,18,19,20)
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n/an/a 17n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-2-1-3-11(8-10)22(23)24)20-14(19-12)21-6-4-16-5-7-21/h1-3,8,16H,4-7H2,(H,17,18,19,20)
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n/an/a 17n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-2-1-3-11(8-10)22(23)24)20-14(19-12)21-6-4-16-5-7-21/h1-3,8,16H,4-7H2,(H,17,18,19,20)
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n/an/a 17n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192802
PNG
(CHEMBL3927993)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CC(=O)C3)n1
Show InChI InChI=1S/C21H21N5O2S2/c1-11-19(30-12(2)23-11)17-10-29-21(24-17)25-18-6-3-13(9-22-18)20(28)26-14-4-5-15(26)8-16(27)7-14/h3,6,9-10,14-15H,4-5,7-8H2,1-2H3,(H,22,24,25)
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n/an/a 24n/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
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192803
PNG
(CHEMBL3906685)
Show SMILES CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1S/C22H25N5O2S2/c1-12-20(31-13(2)24-12)18-11-30-22(25-18)26-19-7-4-14(10-23-19)21(28)27-15-5-6-16(27)9-17(8-15)29-3/h4,7,10-11,15-17H,5-6,8-9H2,1-3H3,(H,23,25,26)/t15-,16+,17+
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n/an/a 2.40n/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
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192804
PNG
(CHEMBL3933401)
Show SMILES COC(=O)N1CCN(C(C1)C(F)(F)F)C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1S/C21H21F3N6O3S2/c1-11-17(35-12(2)26-11)14-10-34-19(27-14)28-16-5-4-13(8-25-16)18(31)30-7-6-29(20(32)33-3)9-15(30)21(22,23)24/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,25,27,28)
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n/an/a 0.570n/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
Vanilloid receptor


(Rattus norvegicus)
BDBM50192802
PNG
(CHEMBL3927993)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CC(=O)C3)n1
Show InChI InChI=1S/C21H21N5O2S2/c1-11-19(30-12(2)23-11)17-10-29-21(24-17)25-18-6-3-13(9-22-18)20(28)26-14-4-5-15(26)8-16(27)7-14/h3,6,9-10,14-15H,4-5,7-8H2,1-2H3,(H,22,24,25)
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n/an/a 360n/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
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192807
PNG
(CHEMBL3984947)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C\C(C3)=N/OCC(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N6O2S2/c1-12-20(36-13(2)28-12)18-10-35-22(29-18)30-19-6-3-14(9-27-19)21(33)32-16-4-5-17(32)8-15(7-16)31-34-11-23(24,25)26/h3,6,9-10,16-17H,4-5,7-8,11H2,1-2H3,(H,27,29,30)/b31-15-/t16-,17+/m0/s1
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n/an/a 0.360n/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
Vanilloid receptor


(Rattus norvegicus)
BDBM50192807
PNG
(CHEMBL3984947)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C\C(C3)=N/OCC(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N6O2S2/c1-12-20(36-13(2)28-12)18-10-35-22(29-18)30-19-6-3-14(9-27-19)21(33)32-16-4-5-17(32)8-15(7-16)31-34-11-23(24,25)26/h3,6,9-10,16-17H,4-5,7-8,11H2,1-2H3,(H,27,29,30)/b31-15-/t16-,17+/m0/s1
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n/an/a 18n/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
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192812
PNG
(CHEMBL3897681)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](O)C3)n1
Show InChI InChI=1S/C21H23N5O2S2/c1-11-19(30-12(2)23-11)17-10-29-21(24-17)25-18-6-3-13(9-22-18)20(28)26-14-4-5-15(26)8-16(27)7-14/h3,6,9-10,14-16,27H,4-5,7-8H2,1-2H3,(H,22,24,25)/t14-,15+,16-
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n/an/a 650n/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
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192818
PNG
(CHEMBL3943456)
Show SMILES CNC(=O)N1CC2CCC(C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1S/C22H25N7O2S2/c1-12-19(33-13(2)25-12)17-11-32-21(26-17)27-18-7-4-14(8-24-18)20(30)29-15-5-6-16(29)10-28(9-15)22(31)23-3/h4,7-8,11,15-16H,5-6,9-10H2,1-3H3,(H,23,31)(H,24,26,27)
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n/an/a 770n/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
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192819
PNG
(CHEMBL3908777)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)C2CCCCC2)n1
Show InChI InChI=1S/C26H32N6OS2/c1-16-24(35-17(2)28-16)22-15-34-26(29-22)30-23-11-8-18(12-27-23)25(33)32-20-9-10-21(32)14-31(13-20)19-6-4-3-5-7-19/h8,11-12,15,19-21H,3-7,9-10,13-14H2,1-2H3,(H,27,29,30)
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n/an/a 2.80n/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
Vanilloid receptor


(Rattus norvegicus)
BDBM50192822
PNG
(CHEMBL3897222)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C\C(C3)=N/OCCCO)n1
Show InChI InChI=1S/C24H28N6O3S2/c1-14-22(35-15(2)26-14)20-13-34-24(27-20)28-21-7-4-16(12-25-21)23(32)30-18-5-6-19(30)11-17(10-18)29-33-9-3-8-31/h4,7,12-13,18-19,31H,3,5-6,8-11H2,1-2H3,(H,25,27,28)/b29-17-/t18-,19+/m0/s1
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n/an/a 57n/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
Vanilloid receptor


(Rattus norvegicus)
BDBM50192804
PNG
(CHEMBL3933401)
Show SMILES COC(=O)N1CCN(C(C1)C(F)(F)F)C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1S/C21H21F3N6O3S2/c1-11-17(35-12(2)26-11)14-10-34-19(27-14)28-16-5-4-13(8-25-16)18(31)30-7-6-29(20(32)33-3)9-15(30)21(22,23)24/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,25,27,28)
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n/an/a 15n/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
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192822
PNG
(CHEMBL3897222)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C\C(C3)=N/OCCCO)n1
Show InChI InChI=1S/C24H28N6O3S2/c1-14-22(35-15(2)26-14)20-13-34-24(27-20)28-21-7-4-16(12-25-21)23(32)30-18-5-6-19(30)11-17(10-18)29-33-9-3-8-31/h4,7,12-13,18-19,31H,3,5-6,8-11H2,1-2H3,(H,25,27,28)/b29-17-/t18-,19+/m0/s1
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n/an/a 2.90n/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
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192827
PNG
(CHEMBL3985405)
Show SMILES CCNC(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1S/C24H28N6O3S2/c1-4-25-24(32)33-18-9-16-6-7-17(10-18)30(16)22(31)15-5-8-20(26-11-15)29-23-28-19(12-34-23)21-13(2)27-14(3)35-21/h5,8,11-12,16-18H,4,6-7,9-10H2,1-3H3,(H,25,32)(H,26,28,29)/t16-,17+,18+
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n/an/a 1.90n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50192839
PNG
(CHEMBL3984982)
Show SMILES C[C@H]1Nc2cccnc2NC1=O
Show InChI InChI=1S/C8H9N3O/c1-5-8(12)11-7-6(10-5)3-2-4-9-7/h2-5,10H,1H3,(H,9,11,12)/t5-/m1/s1
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n/an/an/a 6.00E+5n/an/an/an/an/a



Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Binding affinity to GSK-3 beta (unknown origin) after 30 mins by isothermal titration calorimetry


ACS Med Chem Lett 7: 852-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00230
BindingDB Entry DOI: 10.7270/Q2RR217B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-2-1-3-11(8-10)22(23)24)20-14(19-12)21-6-4-16-5-7-21/h1-3,8,16H,4-7H2,(H,17,18,19,20)
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n/an/a 34n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50192843
PNG
(CHEMBL3358968)
Show SMILES COc1ccc(cc1)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H15N3O2/c1-24-13-8-6-12(7-9-13)18-19(23)21-11-17(22-18)15-10-20-16-5-3-2-4-14(15)16/h2-11,20H,1H3,(H,21,23)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
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Ligand-Target Pair