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8 similar compounds to monomer 50197573

Compile data set for download or QSAR
Wt: 345.3
BDBM50055053
Wt: 360.4
BDBM50055054
Wt: 474.5
BDBM50055056
Wt: 749.9
BDBM50055057
Wt: 472.6
BDBM50197571
Wt: 540.7
BDBM50197572
Wt: 500.6
BDBM50197576
Wt: 514.7
BDBM50197578

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50055053,50055054,50055056,50055057,50197571,50197572,50197576,50197578   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50055053
PNG
(CHEMBL3319450)
Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1ccccc1N
Show InChI InChI=1S/C21H19N3O2/c1-25-19-8-7-13(10-20(19)26-2)17-12-24-21-16(17)9-14(11-23-21)15-5-3-4-6-18(15)22/h3-12H,22H2,1-2H3,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of c-KIT D816V mutant (unknown origin)


J Med Chem 57: 6428-43 (2014)


Article DOI: 10.1021/jm500413g
BindingDB Entry DOI: 10.7270/Q2QR4ZS4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50055057
PNG
(CHEMBL3323504)
Show SMILES CN1CCN(CCCCn2c3ccc(cc3c3cc(ccc23)-c2nc3cc(ccc3[nH]2)N2CCN(C)CC2)-c2nc3cc(ccc3[nH]2)N2CCN(C)CC2)CC1
Show InChI InChI=1S/C45H55N11/c1-50-16-22-53(23-17-50)14-4-5-15-56-42-12-6-32(44-46-38-10-8-34(30-40(38)48-44)54-24-18-51(2)19-25-54)28-36(42)37-29-33(7-13-43(37)56)45-47-39-11-9-35(31-41(39)49-45)55-26-20-52(3)21-27-55/h6-13,28-31H,4-5,14-27H2,1-3H3,(H,46,48)(H,47,49)
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n/an/a 900n/an/an/an/an/an/a



Indian Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of telomerase isolated form human HeLa cells by TRAP-LIG assay


J Med Chem 57: 6973-88 (2014)


Article DOI: 10.1021/jm500427n
BindingDB Entry DOI: 10.7270/Q2M0474D
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50055054
PNG
(CHEMBL3319476)
Show SMILES COc1cccc(c1)-c1cnc2[nH]cc(-c3ccc(OC)c(OC)c3)c2c1
Show InChI InChI=1S/C22H20N2O3/c1-25-17-6-4-5-14(9-17)16-10-18-19(13-24-22(18)23-12-16)15-7-8-20(26-2)21(11-15)27-3/h4-13H,1-3H3,(H,23,24)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of wild type c-KIT (unknown origin)


J Med Chem 57: 6428-43 (2014)


Article DOI: 10.1021/jm500413g
BindingDB Entry DOI: 10.7270/Q2QR4ZS4
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50055056
PNG
(CHEMBL3319475)
Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1ccc(OCCN2CCOCC2)c(N)c1
Show InChI InChI=1S/C27H30N4O4/c1-32-25-6-4-19(15-26(25)33-2)22-17-30-27-21(22)13-20(16-29-27)18-3-5-24(23(28)14-18)35-12-9-31-7-10-34-11-8-31/h3-6,13-17H,7-12,28H2,1-2H3,(H,29,30)
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n/an/a 8.54E+3n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of wild type c-KIT (unknown origin)


J Med Chem 57: 6428-43 (2014)


Article DOI: 10.1021/jm500413g
BindingDB Entry DOI: 10.7270/Q2QR4ZS4
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50055056
PNG
(CHEMBL3319475)
Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1ccc(OCCN2CCOCC2)c(N)c1
Show InChI InChI=1S/C27H30N4O4/c1-32-25-6-4-19(15-26(25)33-2)22-17-30-27-21(22)13-20(16-29-27)18-3-5-24(23(28)14-18)35-12-9-31-7-10-34-11-8-31/h3-6,13-17H,7-12,28H2,1-2H3,(H,29,30)
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n/an/a 14n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of c-KIT D816V mutant (unknown origin)


J Med Chem 57: 6428-43 (2014)


Article DOI: 10.1021/jm500413g
BindingDB Entry DOI: 10.7270/Q2QR4ZS4
More data for this
Ligand-Target Pair
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))
BDBM50197572
PNG
(CHEMBL3917119)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCNCC1)C(O)=O
Show InChI InChI=1S/C27H48N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h18-23,28,30-31H,4-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1
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n/an/a 880n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins by chromogenic assay


J Med Chem 59: 9567-9573 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50055053
PNG
(CHEMBL3319450)
Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1ccccc1N
Show InChI InChI=1S/C21H19N3O2/c1-25-19-8-7-13(10-20(19)26-2)17-12-24-21-16(17)9-14(11-23-21)15-5-3-4-6-18(15)22/h3-12H,22H2,1-2H3,(H,23,24)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of c-KIT D816V mutant (unknown origin)


J Med Chem 57: 6428-43 (2014)


Article DOI: 10.1021/jm500413g
BindingDB Entry DOI: 10.7270/Q2QR4ZS4
More data for this
Ligand-Target Pair
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))
BDBM50197578
PNG
(CHEMBL3919256)
Show SMILES C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2(C)C
Show InChI InChI=1S/C25H46N4O5S/c1-16-19-14-18(25(19,2)3)15-21(16)27-23(30)22(13-17-9-5-4-6-10-17)29-35(33,34)28-20(24(31)32)11-7-8-12-26/h16-22,28-29H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)/t16-,18+,19-,20-,21-,22-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins by chromogenic assay


J Med Chem 59: 9567-9573 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2
More data for this
Ligand-Target Pair
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))
BDBM50197576
PNG
(CHEMBL3961311)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-4-5-9-16)28-34(32,33)27-18(22(30)31)10-6-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins by chromogenic assay


J Med Chem 59: 9567-9573 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2
More data for this
Ligand-Target Pair
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))
BDBM50197571
PNG
(CHEMBL3890531)
Show SMILES NCCCC[C@H](NS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O
Show InChI InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16?,17?,18-,19?,20+/m0/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins by chromogenic assay


J Med Chem 59: 9567-9573 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50055054
PNG
(CHEMBL3319476)
Show SMILES COc1cccc(c1)-c1cnc2[nH]cc(-c3ccc(OC)c(OC)c3)c2c1
Show InChI InChI=1S/C22H20N2O3/c1-25-17-6-4-5-14(9-17)16-10-18-19(13-24-22(18)23-12-16)15-7-8-20(26-2)21(11-15)27-3/h4-13H,1-3H3,(H,23,24)
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n/an/a 29n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of c-KIT D816V mutant (unknown origin)


J Med Chem 57: 6428-43 (2014)


Article DOI: 10.1021/jm500413g
BindingDB Entry DOI: 10.7270/Q2QR4ZS4
More data for this
Ligand-Target Pair