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18 similar compounds to monomer 50096319

Compile data set for download or QSAR
Wt: 465.2
BDBM50324448
Purchase
Wt: 325.3
BDBM50324441
Purchase
Wt: 410.4
BDBM50096328
Wt: 171.1
BDBM50096338
Wt: 491.6
BDBM50096348
Purchase
Wt: 523.5
BDBM50096349
Wt: 336.3
BDBM50096307
Wt: 298.3
BDBM50096311
Purchase
Wt: 335.4
BDBM50096312
Purchase
Wt: 335.4
BDBM50096315
Wt: 334.4
BDBM50096318
Wt: 409.4
BDBM50096325
Wt: 405.5
BDBM50096329
Wt: 453.5
BDBM50096331
Purchase
Wt: 169.1
BDBM50096337
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 50324448,50324441,50096328,50096338,50096348,50096349,50096307,50096311,50096312,50096315,50096318,50096325,50096329,50096331,50096337   
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
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM50096348
PNG
(2-Cyano-3,12-Dioxooleana-1,9(11)-Dien-28-Oic Acid ...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O
Show InChI InChI=1S/C23H19N3O2/c1-16-8-3-4-11-19(16)26-21(14-13-17-9-5-6-15-24-17)25-22-18(23(26)27)10-7-12-20(22)28-2/h3-15H,1-2H3/b14-13+
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n/an/a>1.00E+5n/an/an/an/a7.025



Syracuse University



Assay Description
Assays were performed with ~100 μg of membrane protein, as determined by a Bradford assay. The membrane fraction was preincubated with 1 μM met...


Biochemistry 56: 919-931 (2017)


Article DOI: 10.1021/acs.biochem.6b01008
BindingDB Entry DOI: 10.7270/Q270808D
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096311
PNG
(CHEMBL3586717)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+
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n/an/a 5.01E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...


J Med Chem 61: 8321-8336 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00862
BindingDB Entry DOI: 10.7270/Q2125WBR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096315
PNG
(CHEMBL3586725)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C23H19N3O/c1-16-10-12-20-19(15-16)23(27)26(21-9-4-3-7-17(21)2)22(25-20)13-11-18-8-5-6-14-24-18/h3-15H,1-2H3/b13-11+
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50096348
PNG
(2-Cyano-3,12-Dioxooleana-1,9(11)-Dien-28-Oic Acid ...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O
Show InChI InChI=1S/C23H19N3O2/c1-16-8-3-4-11-19(16)26-21(14-13-17-9-5-6-15-24-17)25-22-18(23(26)27)10-7-12-20(22)28-2/h3-15H,1-2H3/b14-13+
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n/an/a 23n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of nitric oxide production after 48 hrs by Griess assay


J Med Chem 58: 4738-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00393
BindingDB Entry DOI: 10.7270/Q2V126J4
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096349
PNG
(CHEBI:52649 | CHEMBL1742484)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H16FN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/an/an/a 550n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096349
PNG
(CHEBI:52649 | CHEMBL1742484)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H16FN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/an/an/a 28n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096312
PNG
(CHEMBL3586723)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C21H13Cl2N3O/c22-16-8-5-9-17(23)20(16)26-19(12-11-14-6-3-4-13-24-14)25-18-10-2-1-7-15(18)21(26)27/h1-13H/b12-11+
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096311
PNG
(CHEMBL3586717)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096307
PNG
(CHEMBL3585462)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncnc1
Show InChI InChI=1S/C21H14FN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096311
PNG
(CHEMBL3586717)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+
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n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096307
PNG
(CHEMBL3585462)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncnc1
Show InChI InChI=1S/C21H14FN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096318
PNG
(CHEMBL3586719)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C22H15Cl2N3O/c1-14-6-2-3-8-19(14)27-20(10-9-16-7-4-5-11-25-16)26-21-17(22(27)28)12-15(23)13-18(21)24/h2-13H,1H3/b10-9+
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096312
PNG
(CHEMBL3586723)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C21H13Cl2N3O/c22-16-8-5-9-17(23)20(16)26-19(12-11-14-6-3-4-13-24-14)25-18-10-2-1-7-15(18)21(26)27/h1-13H/b12-11+
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50096315
PNG
(CHEMBL3586725)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C23H19N3O/c1-16-10-12-20-19(15-16)23(27)26(21-9-4-3-7-17(21)2)22(25-20)13-11-18-8-5-6-14-24-18/h3-15H,1-2H3/b13-11+
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50096337
PNG
(CHEMBL3577126)
Show SMILES C=CC1(C=CC(=O)C(=C1)C#N)C#C
Show InChI InChI=1S/C22H17N3O/c1-16-8-2-5-12-20(16)25-21(14-13-17-9-6-7-15-23-17)24-19-11-4-3-10-18(19)22(25)26/h2-15H,1H3/b14-13+
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n/an/a 16n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of nitric oxide production after 48 hrs by Griess assay


J Med Chem 58: 4738-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00393
BindingDB Entry DOI: 10.7270/Q2V126J4
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50096338
PNG
(CHEMBL3577127)
Show SMILES CCC1(C=CC(=O)C(=C1)C#N)C#C
Show InChI InChI=1S/C24H21N3O3/c1-16-8-4-5-10-20(16)27-23(12-11-17-9-6-7-13-25-17)26-19-15-22(30-3)21(29-2)14-18(19)24(27)28/h4-15H,1-3H3/b12-11+
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n/an/a 29n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of nitric oxide production after 48 hrs by Griess assay


J Med Chem 58: 4738-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00393
BindingDB Entry DOI: 10.7270/Q2V126J4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096325
PNG
(CHEMBL3577120)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-14-16(23)9-11-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/a 82n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant in human A375 cells assessed as inhibition of ERK phosphorylation measured after 72 hrs by ELISA assay


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096328
PNG
(CHEMBL3577119)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/a 110n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant in human A375 cells assessed as inhibition of ERK phosphorylation measured after 72 hrs by ELISA assay


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096329
PNG
(CHEMBL3577118)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1C
Show InChI InChI=1S/C22H16ClN3O/c1-15-7-2-3-11-19(15)26-20(13-12-16-8-4-5-14-24-16)25-21-17(22(26)27)9-6-10-18(21)23/h2-14H,1H3/b13-12+
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n/an/a 140n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant in human A375 cells assessed as inhibition of ERK phosphorylation measured after 72 hrs by ELISA assay


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096331
PNG
(CHEMBL3577116)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O
Show InChI InChI=1S/C21H14ClN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+
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n/an/a 40n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant in human A375 cells assessed as inhibition of ERK phosphorylation measured after 72 hrs by ELISA assay


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096325
PNG
(CHEMBL3577120)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-14-16(23)9-11-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/a 1.60n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096328
PNG
(CHEMBL3577119)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/a 2.80n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096329
PNG
(CHEMBL3577118)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1C
Show InChI InChI=1S/C22H16ClN3O/c1-15-7-2-3-11-19(15)26-20(13-12-16-8-4-5-14-24-16)25-21-17(22(26)27)9-6-10-18(21)23/h2-14H,1H3/b13-12+
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n/an/a 6.70n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096331
PNG
(CHEMBL3577116)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O
Show InChI InChI=1S/C21H14ClN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+
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n/an/a 5.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096325
PNG
(CHEMBL3577120)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-14-16(23)9-11-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/a 8.40n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096328
PNG
(CHEMBL3577119)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/a 18n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096329
PNG
(CHEMBL3577118)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1C
Show InChI InChI=1S/C22H16ClN3O/c1-15-7-2-3-11-19(15)26-20(13-12-16-8-4-5-14-24-16)25-21-17(22(26)27)9-6-10-18(21)23/h2-14H,1H3/b13-12+
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n/an/a 27n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096331
PNG
(CHEMBL3577116)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O
Show InChI InChI=1S/C21H14ClN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+
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n/an/a 11n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096325
PNG
(CHEMBL3577120)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-14-16(23)9-11-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/a 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096328
PNG
(CHEMBL3577119)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/a 7.60n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096329
PNG
(CHEMBL3577118)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1C
Show InChI InChI=1S/C22H16ClN3O/c1-15-7-2-3-11-19(15)26-20(13-12-16-8-4-5-14-24-16)25-21-17(22(26)27)9-6-10-18(21)23/h2-14H,1H3/b13-12+
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n/an/a 4.30n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096331
PNG
(CHEMBL3577116)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O
Show InChI InChI=1S/C21H14ClN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+
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n/an/a 4.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096325
PNG
(CHEMBL3577120)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-14-16(23)9-11-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/a 33n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096328
PNG
(CHEMBL3577119)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/a 750n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096331
PNG
(CHEMBL3577116)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O
Show InChI InChI=1S/C21H14ClN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+
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n/an/a 25n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096349
PNG
(CHEBI:52649 | CHEMBL1742484)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H16FN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/an/an/a 525n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096349
PNG
(CHEBI:52649 | CHEMBL1742484)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H16FN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/an/an/a 550n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096349
PNG
(CHEBI:52649 | CHEMBL1742484)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H16FN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/an/an/a 28n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096349
PNG
(CHEBI:52649 | CHEMBL1742484)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H16FN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/an/an/a 520n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Mus musculus)
BDBM50096349
PNG
(CHEBI:52649 | CHEMBL1742484)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H16FN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/an/an/a 240n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR34 expressed in HEK293A cells cotransfected with chimeric Galphaq/il after 1.5 hrs by alkaline phosphatase tagged-TGFalp...


J Med Chem 59: 3750-76 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01925
BindingDB Entry DOI: 10.7270/Q2542QHQ
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Mus musculus)
BDBM50096349
PNG
(CHEBI:52649 | CHEMBL1742484)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H16FN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/an/an/a 25n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse P2Y10 receptor expressed in HEK293A cells after 1.5 hrs by alkaline phosphatase tagged-TGFalpha shedding assay


J Med Chem 59: 3750-76 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01925
BindingDB Entry DOI: 10.7270/Q2542QHQ
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Mus musculus)
BDBM50096349
PNG
(CHEBI:52649 | CHEMBL1742484)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H16FN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/an/an/a 25n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse P2Y10 receptor expressed in HEK293A cells after 1.5 hrs by alkaline phosphatase tagged-TGFalpha shedding assay


J Med Chem 59: 3750-76 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01925
BindingDB Entry DOI: 10.7270/Q2542QHQ
More data for this
Ligand-Target Pair
G protein-coupled receptor 34


(Mus musculus)
BDBM50096349
PNG
(CHEBI:52649 | CHEMBL1742484)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H16FN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+
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n/an/an/an/a 240n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR34 expressed in HEK293A cells cotransfected with chimeric Galphaq/il after 1.5 hrs by alkaline phosphatase tagged-TGFalp...


J Med Chem 59: 3750-76 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01925
BindingDB Entry DOI: 10.7270/Q2542QHQ
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50324441
PNG
((E)-3-phenyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4...)
Show SMILES O=c1n(-c2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12
Show InChI InChI=1S/C21H15N3O/c25-21-18-10-4-5-11-19(18)23-20(13-12-16-7-6-14-22-15-16)24(21)17-8-2-1-3-9-17/h1-15H/b13-12+
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n/an/a 1.40E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant NR1-NR2C receptor expressed in Xenopus oocytes at holding potential of -40mV by two-electrode voltage-clamp el...


J Med Chem 53: 5476-90 (2010)


Article DOI: 10.1021/jm100027p
BindingDB Entry DOI: 10.7270/Q2DR2VQF
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50324448
PNG
((E)-6-iodo-2-(2-(pyridin-3-yl)vinyl)-3-o-tolylquin...)
Show SMILES Cc1ccccc1-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O
Show InChI InChI=1S/C22H16IN3O/c1-15-5-2-3-7-20(15)26-21(11-8-16-6-4-12-24-14-16)25-19-10-9-17(23)13-18(19)22(26)27/h2-14H,1H3/b11-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant NR1-NR2C receptor expressed in Xenopus oocytes at holding potential of -40mV by two-electrode voltage-clamp el...


J Med Chem 53: 5476-90 (2010)


Article DOI: 10.1021/jm100027p
BindingDB Entry DOI: 10.7270/Q2DR2VQF
More data for this
Ligand-Target Pair
Glutamate receptor 1


(Rattus norvegicus (Rat))
BDBM50324441
PNG
((E)-3-phenyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4...)
Show SMILES O=c1n(-c2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12
Show InChI InChI=1S/C21H15N3O/c25-21-18-10-4-5-11-19(18)23-20(13-12-16-7-6-14-22-15-16)24(21)17-8-2-1-3-9-17/h1-15H/b13-12+
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n/an/a 7.40E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant GLuR1 expressed in Xenopus oocytes assessed as inhibition of glutamate-induced current by two-electrode voltag...


J Med Chem 53: 5476-90 (2010)


Article DOI: 10.1021/jm100027p
BindingDB Entry DOI: 10.7270/Q2DR2VQF
More data for this
Ligand-Target Pair
Glutamate receptor 1


(Rattus norvegicus (Rat))
BDBM50324448
PNG
((E)-6-iodo-2-(2-(pyridin-3-yl)vinyl)-3-o-tolylquin...)
Show SMILES Cc1ccccc1-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O
Show InChI InChI=1S/C22H16IN3O/c1-15-5-2-3-7-20(15)26-21(11-8-16-6-4-12-24-14-16)25-19-10-9-17(23)13-18(19)22(26)27/h2-14H,1H3/b11-8+
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n/an/a 8.30E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant GLuR1 expressed in Xenopus oocytes assessed as inhibition of glutamate-induced current by two-electrode voltag...


J Med Chem 53: 5476-90 (2010)


Article DOI: 10.1021/jm100027p
BindingDB Entry DOI: 10.7270/Q2DR2VQF
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50324441
PNG
((E)-3-phenyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4...)
Show SMILES O=c1n(-c2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12
Show InChI InChI=1S/C21H15N3O/c25-21-18-10-4-5-11-19(18)23-20(13-12-16-7-6-14-22-15-16)24(21)17-8-2-1-3-9-17/h1-15H/b13-12+
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n/an/a 4.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant NR1-NR2A receptor expressed in Xenopus oocytes at holding potential of -40mV by two-electrode voltage-clamp el...


J Med Chem 53: 5476-90 (2010)


Article DOI: 10.1021/jm100027p
BindingDB Entry DOI: 10.7270/Q2DR2VQF
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50324448
PNG
((E)-6-iodo-2-(2-(pyridin-3-yl)vinyl)-3-o-tolylquin...)
Show SMILES Cc1ccccc1-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O
Show InChI InChI=1S/C22H16IN3O/c1-15-5-2-3-7-20(15)26-21(11-8-16-6-4-12-24-14-16)25-19-10-9-17(23)13-18(19)22(26)27/h2-14H,1H3/b11-8+
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n/an/a>3.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant NR1-NR2A receptor expressed in Xenopus oocytes at holding potential of -40mV by two-electrode voltage-clamp el...


J Med Chem 53: 5476-90 (2010)


Article DOI: 10.1021/jm100027p
BindingDB Entry DOI: 10.7270/Q2DR2VQF
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50324441
PNG
((E)-3-phenyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4...)
Show SMILES O=c1n(-c2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12
Show InChI InChI=1S/C21H15N3O/c25-21-18-10-4-5-11-19(18)23-20(13-12-16-7-6-14-22-15-16)24(21)17-8-2-1-3-9-17/h1-15H/b13-12+
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n/an/a 5.10E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant NR1-NR2B receptor expressed in Xenopus oocytes at holding potential of -40mV by two-electrode voltage-clamp el...


J Med Chem 53: 5476-90 (2010)


Article DOI: 10.1021/jm100027p
BindingDB Entry DOI: 10.7270/Q2DR2VQF
More data for this
Ligand-Target Pair
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