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18 similar compounds to monomer 50091329

Wt: 421.5
BDBM50235092
Wt: 562.6
BDBM50235093
Wt: 347.4
BDBM50013890
Purchase
Wt: 678.7
BDBM50091349
Wt: 540.5
BDBM50091355
Wt: 510.5
BDBM50091363
Wt: 440.4
BDBM50091365
Wt: 410.4
BDBM50091368
Wt: 489.6
BDBM50091323
Wt: 505.6
BDBM50091328
Wt: 486.5
BDBM50091330
Wt: 409.9
BDBM50091332
Wt: 222.7
BDBM50091335
Wt: 202.2
BDBM50091336
Wt: 270.3
BDBM50091341
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50235092,50235093,50013890,50091349,50091355,50091363,50091365,50091368,50091323,50091328,50091330,50091332,50091335,50091336,50091341   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50091349
PNG
(CHEMBL3582271)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39)
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4.70n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50091349
PNG
(CHEMBL3582271)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39)
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7.30n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)

More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091336
PNG
(CHEMBL3582266)
Show SMILES C[C@@H](Cc1ccccc1C)C1=NCCN1
Show InChI InChI=1/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)/t11-/s2
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13n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)

More data for this
Ligand-Target Pair
Alpha-1d adrenergic receptor


(HUMAN)
BDBM50091349
PNG
(CHEMBL3582271)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39)
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21n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1D adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)

More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091341
PNG
(CHEMBL3582261)
Show SMILES CC(Cc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1/C16H18N2S/c1-12(16-17-7-8-18-16)10-13-4-2-3-5-15(13)14-6-9-19-11-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,17,18)
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63n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)

More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091335
PNG
(CHEMBL3582267)
Show SMILES CC(Cc1ccccc1Cl)C1=NCCN1
Show InChI InChI=1/C12H15ClN2/c1-9(12-14-6-7-15-12)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,14,15)
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195n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091328
PNG
(CHEMBL3582250)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN([C@@H](C)C1)C(=O)Cc1ccsc1)-c1ccc(F)cc1
Show InChI InChI=1/C27H28FN5O2S/c1-17(2)22-13-23(20-4-6-21(28)7-5-20)30-33-15-24(29-26(22)33)27(35)31-9-10-32(18(3)14-31)25(34)12-19-8-11-36-16-19/h4-8,11,13,15-18H,9-10,12,14H2,1-3H3/t18-/s2
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n/an/a 2n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of SLIGKV-induced Ca2+ responses pre-incubated for 30 mins before SLIGKV ...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50091349
PNG
(CHEMBL3582271)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39)
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n/an/a 16n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091328
PNG
(CHEMBL3582250)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN([C@@H](C)C1)C(=O)Cc1ccsc1)-c1ccc(F)cc1
Show InChI InChI=1/C27H28FN5O2S/c1-17(2)22-13-23(20-4-6-21(28)7-5-20)30-33-15-24(29-26(22)33)27(35)31-9-10-32(18(3)14-31)25(34)12-19-8-11-36-16-19/h4-8,11,13,15-18H,9-10,12,14H2,1-3H3/t18-/s2
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n/an/a 5n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of trypsin-induced Ca2+ responses pre-incubated for 30 mins before trypsi...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a 8.54E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091328
PNG
(CHEMBL3582250)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN([C@@H](C)C1)C(=O)Cc1ccsc1)-c1ccc(F)cc1
Show InChI InChI=1/C27H28FN5O2S/c1-17(2)22-13-23(20-4-6-21(28)7-5-20)30-33-15-24(29-26(22)33)27(35)31-9-10-32(18(3)14-31)25(34)12-19-8-11-36-16-19/h4-8,11,13,15-18H,9-10,12,14H2,1-3H3/t18-/s2
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n/an/a>500n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of thrombin-induced Ca2+ responses pre-incubated for 30 mins before throm...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens)
BDBM50091332
PNG
(CHEMBL3582254)
Show SMILES C[C@@H](NCc1ccc(OCc2cccc(c2C)-c2ccccc2)c(Cl)c1)C(O)=O
Show InChI InChI=1/C24H24ClNO3/c1-16-20(9-6-10-21(16)19-7-4-3-5-8-19)15-29-23-12-11-18(13-22(23)25)14-26-17(2)24(27)28/h3-13,17,26H,14-15H2,1-2H3,(H,27,28)/t17-/s2
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n/an/a 6n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 additio...


ACS Med Chem Lett 6: 489-90 (2015)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens)
BDBM50091330
PNG
(CHEMBL3582256)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC[C@H]1C(O)=O
Show InChI InChI=1/C29H30N2O5/c1-34-27-15-22(16-28(35-2)25(27)18-31-14-7-6-13-26(31)29(32)33)36-19-21-11-8-12-23(24(21)17-30)20-9-4-3-5-10-20/h3-5,8-12,15-16,26H,6-7,13-14,18-19H2,1-2H3,(H,32,33)/t26-/s2
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n/an/a 6n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 additio...


ACS Med Chem Lett 6: 489-90 (2015)

More data for this
Ligand-Target Pair
Alpha-1d adrenergic receptor


(HUMAN)
BDBM50091349
PNG
(CHEMBL3582271)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39)
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n/an/a 34n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1D adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a 4.78E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using midazolam as substrate after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50091349
PNG
(CHEMBL3582271)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39)
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n/an/a 8.80n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a 1.98E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19 after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091365
PNG
(CHEMBL3582293)
Show SMILES CNC(=O)c1ccc(cc1OC)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C26H21FN4O2/c1-28-26(32)21-7-6-17(13-24(21)33-2)19-12-22(27)25-30-14-20(31(25)15-19)11-16-5-8-23-18(10-16)4-3-9-29-23/h3-10,12-15H,11H2,1-2H3,(H,28,32)
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n/an/a 11n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091368
PNG
(CHEMBL3582290)
Show SMILES CNC(=O)c1cccc(c1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C25H19FN4O/c1-27-25(31)19-5-2-4-17(12-19)20-13-22(26)24-29-14-21(30(24)15-20)11-16-7-8-23-18(10-16)6-3-9-28-23/h2-10,12-15H,11H2,1H3,(H,27,31)
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n/an/a 6n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091355
PNG
(CHEMBL3582303)
Show SMILES Fc1cc(F)cc(CNC(=O)c2ccc(cc2F)-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1
Show InChI InChI=1S/C31H20F4N4O/c32-23-9-19(10-24(33)14-23)15-38-31(40)26-5-4-20(12-27(26)34)22-13-28(35)30-37-16-25(39(30)17-22)11-18-3-6-29-21(8-18)2-1-7-36-29/h1-10,12-14,16-17H,11,15H2,(H,38,40)
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n/an/a 4.70n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091363
PNG
(CHEMBL3582295)
Show SMILES Fc1cc(ccc1C(=O)N1CCC2(COC2)C1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C30H24F2N4O2/c31-25-12-20(4-5-24(25)29(37)35-9-7-30(16-35)17-38-18-30)22-13-26(32)28-34-14-23(36(28)15-22)11-19-3-6-27-21(10-19)2-1-8-33-27/h1-6,8,10,12-15H,7,9,11,16-18H2
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n/an/a 21n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a 2.74E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using testosterone as substrate after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013890
PNG
(CHEMBL3265288)
Show SMILES Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-8-14(21)16(23)15(12)22/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17-
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n/an/a 4.72E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of FITC-labeled MCL1 (unknown origin) after 5 mins by fluorescence polarization assay


J Med Chem 57: 4111-33 (2014)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50013890
PNG
(CHEMBL3265288)
Show SMILES Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-8-14(21)16(23)15(12)22/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091328
PNG
(CHEMBL3582250)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN([C@@H](C)C1)C(=O)Cc1ccsc1)-c1ccc(F)cc1
Show InChI InChI=1/C27H28FN5O2S/c1-17(2)22-13-23(20-4-6-21(28)7-5-20)30-33-15-24(29-26(22)33)27(35)31-9-10-32(18(3)14-31)25(34)12-19-8-11-36-16-19/h4-8,11,13,15-18H,9-10,12,14H2,1-3H3/t18-/s2
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n/an/a>500n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of UTP-induced Ca2+ responses pre-incubated for 30 mins before UTP stimul...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50235093
PNG
(2-((4-(2-(4-(quinolin-2-ylmethoxy)phenyl)bicyclo[2...)
Show SMILES C(Oc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C39H34N2O2/c1-3-7-37-28(5-1)10-17-33(40-37)25-42-35-19-13-30(14-20-35)39(24-27-9-12-32(39)23-27)31-15-21-36(22-16-31)43-26-34-18-11-29-6-2-4-8-38(29)41-34/h1-8,10-11,13-22,27,32H,9,12,23-26H2
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n/an/a 127n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50235092
PNG
(4-(2-(4-(quinolin-2-ylmethoxy)phenyl)bicyclo[2.2.1...)
Show SMILES Oc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C29H27NO2/c31-26-13-8-22(9-14-26)29(18-20-5-7-24(29)17-20)23-10-15-27(16-11-23)32-19-25-12-6-21-3-1-2-4-28(21)30-25/h1-4,6,8-16,20,24,31H,5,7,17-19H2
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n/an/a 145n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)

More data for this
Ligand-Target Pair