BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 411.4
BDBM270618
Wt: 422.4
BDBM269257
Wt: 384.3
BDBM269260
Wt: 408.3
BDBM270472
Wt: 404.4
BDBM270614
Wt: 395.4
BDBM273137
Wt: 370.4
BDBM270830
Wt: 406.4
BDBM275730
Wt: 404.4
BDBM275738
Wt: 403.4
BDBM275739
Wt: 355.3
BDBM275754
Wt: 327.3
BDBM275753
Wt: 425.4
BDBM275755
Wt: 431.4
BDBM275756
Wt: 394.4
BDBM275764
Displayed 1 to 15 (of 104 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM273137
PNG
(US10071086, Compound 443)
Show SMILES c1csc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C21H11N7S/c1-3-12(8-22-5-1)13-7-14-19(27-28-20(14)24-9-13)21-25-16-11-23-10-15(18(16)26-21)17-4-2-6-29-17/h1-11H/b21-19+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM269257
PNG
(US10071086, Compound 5)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C23H13FN8/c24-15-3-1-2-12(4-15)18-10-27-11-19-20(18)30-23(29-19)21-17-6-14(8-28-22(17)32-31-21)13-5-16(25)9-26-7-13/h1-11H,25H2/b23-21+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM275764
PNG
(US10071086, Compound 888)
Show SMILES c1csc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C22H12N6S/c1-5-15(18-7-3-9-29-18)19-17(6-1)25-22(26-19)20-16-10-14(12-24-21(16)28-27-20)13-4-2-8-23-11-13/h1-12H/b22-20+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM275730
PNG
(US10071086, Compound 590)
Show SMILES Fc1ccccc1-c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C24H13FN6/c25-19-8-2-1-6-16(19)17-7-3-9-20-21(17)29-24(28-20)22-18-11-15(13-27-23(18)31-30-22)14-5-4-10-26-12-14/h1-13H/b24-22+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM275754
PNG
(US10071086, Compound 765)
Show SMILES CN(C)c1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C20H15N7/c1-27(2)14-7-12(9-21-11-14)13-8-15-18(25-26-19(15)22-10-13)20-23-16-5-3-4-6-17(16)24-20/h3-11H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM275738
PNG
(US10071086, Compound 635)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccncc3)c2c1
Show InChI InChI=1S/C23H14N8/c24-16-8-14(10-26-12-16)15-9-18-21(30-31-22(18)27-11-15)23-28-19-3-1-2-17(20(19)29-23)13-4-6-25-7-5-13/h1-12H,24H2/b23-21+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM270830
PNG
(US10071086, Compound 325)
Show SMILES CC(C)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccncc4[nH]3)c2c1
Show InChI InChI=1S/C20H16N8/c1-11(2)24-14-5-12(7-22-9-14)13-6-15-18(27-28-19(15)23-8-13)20-25-16-3-4-21-10-17(16)26-20/h3-11,24H,1-2H3/b20-18-
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 58n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM275739
PNG
(US10071086, Compound 637)
Show SMILES Cc1ccncc1-c1cnc2[nH]nc(-c3nc4c(cccc4[nH]3)-c3ccncc3)c2c1
Show InChI InChI=1S/C24H15N7/c1-14-5-8-26-13-19(14)16-11-18-22(30-31-23(18)27-12-16)24-28-20-4-2-3-17(21(20)29-24)15-6-9-25-10-7-15/h2-13H,1H3/b24-22+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Beta-catenin-interacting protein 1


(Homo sapiens (Human))
BDBM269257
PNG
(US10071086, Compound 5)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C23H13FN8/c24-15-3-1-2-12(4-15)18-10-27-11-19-20(18)30-23(29-19)21-17-6-14(8-28-22(17)32-31-21)13-5-16(25)9-26-7-13/h1-11H,25H2/b23-21+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 175n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM275755
PNG
(US10071086, Compound 774)
Show SMILES CC(C)(C)CC(=O)Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C24H21N7O/c1-24(2,3)10-20(32)27-16-8-14(11-25-13-16)15-9-17-21(30-31-22(17)26-12-15)23-28-18-6-4-5-7-19(18)29-23/h4-9,11-13H,10H2,1-3H3,(H,27,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM275753
PNG
(US10071086, Compound 761)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C18H11N7/c19-12-5-10(7-20-9-12)11-6-13-16(24-25-17(13)21-8-11)18-22-14-3-1-2-4-15(14)23-18/h1-9H,19H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM270618
PNG
(US10071086, Compound 238)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)N3CCCCC3)c2c1
Show InChI InChI=1S/C22H19N9/c23-15-6-13(8-24-10-15)14-7-16-19(29-30-21(16)26-9-14)22-27-17-11-25-12-18(20(17)28-22)31-4-2-1-3-5-31/h6-12H,1-5,23H2/b22-19+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 350n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM270614
PNG
(US10071086, Compound 192)
Show SMILES Cc1ccncc1-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccncc3)c2c1
Show InChI InChI=1S/C23H14N8/c1-13-2-5-25-10-17(13)15-8-16-21(30-31-22(16)27-9-15)23-28-19-12-26-11-18(20(19)29-23)14-3-6-24-7-4-14/h2-12H,1H3/b23-21+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM275756
PNG
(US10071086, Compound 781)
Show SMILES C(NCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1
Show InChI InChI=1S/C26H19N7/c1-2-6-17(7-3-1)12-27-13-18-10-19(15-28-14-18)20-11-21-24(32-33-25(21)29-16-20)26-30-22-8-4-5-9-23(22)31-26/h1-11,14-16,27H,12-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.44E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM269260
PNG
(US10071086, Compound 8)
Show SMILES CCNC(=O)c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C20H14N8O/c1-2-23-20(29)14-9-22-10-15-16(14)26-19(25-15)17-13-6-12(8-24-18(13)28-27-17)11-4-3-5-21-7-11/h3-10H,2H2,1H3,(H,23,29)/b19-17+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.25E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM270472
PNG
(US10071086, Compound 23)
Show SMILES Fc1cncc(c1)-c1cncc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C22H11FN8/c23-15-4-14(7-25-9-15)17-10-26-11-18-19(17)29-22(28-18)20-16-5-13(8-27-21(16)31-30-20)12-2-1-3-24-6-12/h1-11H/b22-20+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair