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14 similar compounds to monomer 50232425

Compile data set for download or QSAR
Wt: 531.9
BDBM50232421
Wt: 303.7
BDBM50232426
Wt: 287.2
BDBM50232428
Wt: 514.6
BDBM50232430
Wt: 364.2
BDBM50232429
Wt: 868.9
BDBM50232415
Wt: 472.5
BDBM50232432
Wt: 528.6
BDBM50232433
Wt: 563.6
BDBM50232434
Wt: 498.3
BDBM50232422
Wt: 497.4
BDBM50232423
Wt: 565.4
BDBM50232424

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50232421,50232426,50232428,50232430,50232429,50232415,50232432,50232433,50232434,50232422,50232423,50232424   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232429
PNG
(CHEMBL4104691)
Show SMILES COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
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0.480n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
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3.60n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50232415
PNG
(CHEMBL4103508)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C43H56N12O8/c1-24-41(62)55-19-9-16-34(55)42(63)54-18-8-15-33(54)40(61)53-30(20-25-10-3-2-4-11-25)38(59)50-29(14-7-17-47-43(45)46)36(57)51-31(21-26-23-48-28-13-6-5-12-27(26)28)39(60)52-32(22-35(44)56)37(58)49-24/h2-6,10-13,23-24,29-34,48H,7-9,14-22H2,1H3,(H2,44,56)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,53,61)(H4,45,46,47)/t24-,29-,30+,31-,32-,33-,34+/m0/s1
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n/an/an/an/a 420n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed ...


J Med Chem 60: 805-813 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01707
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232421
PNG
(CHEMBL4100501)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C26H21ClF3N3O4/c1-14-22(10-15-11-23(35-2)24(36-3)13-21(15)31-14)37-18-7-4-16(5-8-18)32-25(34)33-17-6-9-20(27)19(12-17)26(28,29)30/h4-13H,1-3H3,(H2,32,33,34)
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n/an/a 100n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232422
PNG
(CHEMBL4073684)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C25H21Cl2N3O4/c1-14-22(10-15-11-23(32-2)24(33-3)13-21(15)28-14)34-18-7-4-16(5-8-18)29-25(31)30-17-6-9-19(26)20(27)12-17/h4-13H,1-3H3,(H2,29,30,31)
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n/an/a 220n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50232421
PNG
(CHEMBL4100501)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C26H21ClF3N3O4/c1-14-22(10-15-11-23(35-2)24(36-3)13-21(15)31-14)37-18-7-4-16(5-8-18)32-25(34)33-17-6-9-20(27)19(12-17)26(28,29)30/h4-13H,1-3H3,(H2,32,33,34)
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n/an/a 1.33E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human BRAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232423
PNG
(CHEMBL4065090)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C26H22F3N3O4/c1-15-22(11-16-12-23(34-2)24(35-3)14-21(16)30-15)36-20-9-7-18(8-10-20)31-25(33)32-19-6-4-5-17(13-19)26(27,28)29/h4-14H,1-3H3,(H2,31,32,33)
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n/an/a 150n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232424
PNG
(CHEMBL4097123)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C27H21F6N3O4/c1-14-22(8-15-9-23(38-2)24(39-3)13-21(15)34-14)40-20-6-4-18(5-7-20)35-25(37)36-19-11-16(26(28,29)30)10-17(12-19)27(31,32)33/h4-13H,1-3H3,(H2,35,36,37)
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n/an/a 370n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 8.10n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 8.10n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232428
PNG
(CHEMBL4097487)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C15H11F2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 38n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232428
PNG
(CHEMBL4097487)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C15H11F2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 1.88E+3n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOB inhibitor selegili...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232429
PNG
(CHEMBL4104691)
Show SMILES COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOB inhibitor selegili...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 562n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50232428
PNG
(CHEMBL4097487)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C15H11F2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 764n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 20n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232428
PNG
(CHEMBL4097487)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C15H11F2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 221n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 1.69E+3n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOB inhibitor selegili...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50232429
PNG
(CHEMBL4104691)
Show SMILES COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
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n/an/a 2.87E+3n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232429
PNG
(CHEMBL4104691)
Show SMILES COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
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n/an/a 3.80n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232429
PNG
(CHEMBL4104691)
Show SMILES COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
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n/an/a 1.10n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in mouse spleen assessed suppression of CD86


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232432
PNG
(CHEMBL4065659)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H32N8O/c1-17-14-28-15-18(2)32(17)21-5-3-4-19(12-21)24-13-22(25-26(27)29-16-31-34(24)25)23-6-9-30-33(23)20-7-10-35-11-8-20/h3-6,9,12-13,16-18,20,28H,7-8,10-11,14-15H2,1-2H3,(H2,27,29,31)/t17-,18+
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232434
PNG
(CHEMBL4091410 | US10214537, Example 252)
Show SMILES CC(=O)N1CCN(CC1c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C31H33N9O2/c1-21(41)38-13-12-37(19-29(38)23-5-3-10-33-18-23)25-6-2-4-22(16-25)28-17-26(30-31(32)34-20-36-40(28)30)27-7-11-35-39(27)24-8-14-42-15-9-24/h2-7,10-11,16-18,20,24,29H,8-9,12-15,19H2,1H3,(H2,32,34,36)
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232432
PNG
(CHEMBL4065659)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H32N8O/c1-17-14-28-15-18(2)32(17)21-5-3-4-19(12-21)24-13-22(25-26(27)29-16-31-34(24)25)23-6-9-30-33(23)20-7-10-35-11-8-20/h3-6,9,12-13,16-18,20,28H,7-8,10-11,14-15H2,1-2H3,(H2,27,29,31)/t17-,18+
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n/an/a 314n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 795n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232434
PNG
(CHEMBL4091410 | US10214537, Example 252)
Show SMILES CC(=O)N1CCN(CC1c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C31H33N9O2/c1-21(41)38-13-12-37(19-29(38)23-5-3-10-33-18-23)25-6-2-4-22(16-25)28-17-26(30-31(32)34-20-36-40(28)30)27-7-11-35-39(27)24-8-14-42-15-9-24/h2-7,10-11,16-18,20,24,29H,8-9,12-15,19H2,1H3,(H2,32,34,36)
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n/an/a 1n/an/an/an/an/an/a



Duquesne University



Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


J Med Chem 50: 3046-3053 (2007)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 3n/an/an/an/an/an/a



Duquesne University



Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


J Med Chem 50: 3046-3053 (2007)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 0.5n/an/an/an/an/an/a



Duquesne University



Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


J Med Chem 50: 3046-3053 (2007)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 3n/an/an/an/an/an/a



Duquesne University



Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


J Med Chem 50: 3046-3053 (2007)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 21n/an/an/an/an/an/a



Research& Development, Bristol-Myers Squibb Company , Route 206 and Province Line Road, Princeton, New Jersey 08543, United States.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2:PS as substrate after 30 mins by ADP-Glo assay


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 59n/an/an/an/an/an/a



Research& Development, Bristol-Myers Squibb Company , Route 206 and Province Line Road, Princeton, New Jersey 08543, United States.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2:PS as substrate after 30 mins by ADP-Glo assay


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Research& Development, Bristol-Myers Squibb Company , Route 206 and Province Line Road, Princeton, New Jersey 08543, United States.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2:PS as substrate after 30 mins by ADP-Glo assay


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 0.5n/an/an/an/an/an/a



Research& Development, Bristol-Myers Squibb Company , Route 206 and Province Line Road, Princeton, New Jersey 08543, United States.

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 7n/an/an/an/an/an/a



Research& Development, Bristol-Myers Squibb Company , Route 206 and Province Line Road, Princeton, New Jersey 08543, United States.

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50232415
PNG
(CHEMBL4103508)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C43H56N12O8/c1-24-41(62)55-19-9-16-34(55)42(63)54-18-8-15-33(54)40(61)53-30(20-25-10-3-2-4-11-25)38(59)50-29(14-7-17-47-43(45)46)36(57)51-31(21-26-23-48-28-13-6-5-12-27(26)28)39(60)52-32(22-35(44)56)37(58)49-24/h2-6,10-13,23-24,29-34,48H,7-9,14-22H2,1H3,(H2,44,56)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,53,61)(H4,45,46,47)/t24-,29-,30+,31-,32-,33-,34+/m0/s1
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n/an/an/an/a 70n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed ...


J Med Chem 60: 805-813 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01707
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50232415
PNG
(CHEMBL4103508)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C43H56N12O8/c1-24-41(62)55-19-9-16-34(55)42(63)54-18-8-15-33(54)40(61)53-30(20-25-10-3-2-4-11-25)38(59)50-29(14-7-17-47-43(45)46)36(57)51-31(21-26-23-48-28-13-6-5-12-27(26)28)39(60)52-32(22-35(44)56)37(58)49-24/h2-6,10-13,23-24,29-34,48H,7-9,14-22H2,1H3,(H2,44,56)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,53,61)(H4,45,46,47)/t24-,29-,30+,31-,32-,33-,34+/m0/s1
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n/an/an/an/a 500n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed ...


J Med Chem 60: 805-813 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01707
More data for this
Ligand-Target Pair