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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 436.5
BDBM161927

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

Found 8 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
Activin receptor type-1


(Homo sapiens (Human))
BDBM161927
PNG
(US10017516, Compound 59 | US9682983, 59)
Show SMILES CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H24N6O/c1-31-12-9-19(10-13-31)33-20-7-8-24(28-15-20)18-14-29-26-23(16-30-32(26)17-18)21-4-2-6-25-22(21)5-3-11-27-25/h2-8,11,14-17,19H,9-10,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 43n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM161927
PNG
(US10017516, Compound 59 | US9682983, 59)
Show SMILES CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H24N6O/c1-31-12-9-19(10-13-31)33-20-7-8-24(28-15-20)18-14-29-26-23(16-30-32(26)17-18)21-4-2-6-25-22(21)5-3-11-27-25/h2-8,11,14-17,19H,9-10,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 43n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.

US Patent


Assay Description
Compounds were assessed in ALK1-6 enzymatic assays. Specifically, compounds were assayed using LANCE® Ultra ULight technology (Perkin Elmer) against ...


US Patent US10017516 (2018)


BindingDB Entry DOI: 10.7270/Q20P12CN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM161927
PNG
(US10017516, Compound 59 | US9682983, 59)
Show SMILES CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H24N6O/c1-31-12-9-19(10-13-31)33-20-7-8-24(28-15-20)18-14-29-26-23(16-30-32(26)17-18)21-4-2-6-25-22(21)5-3-11-27-25/h2-8,11,14-17,19H,9-10,12-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 141n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM161927
PNG
(US10017516, Compound 59 | US9682983, 59)
Show SMILES CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H24N6O/c1-31-12-9-19(10-13-31)33-20-7-8-24(28-15-20)18-14-29-26-23(16-30-32(26)17-18)21-4-2-6-25-22(21)5-3-11-27-25/h2-8,11,14-17,19H,9-10,12-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 141n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.

US Patent


Assay Description
Compounds were assessed in ALK1-6 enzymatic assays. Specifically, compounds were assayed using LANCE® Ultra ULight technology (Perkin Elmer) against ...


US Patent US10017516 (2018)


BindingDB Entry DOI: 10.7270/Q20P12CN
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM161927
PNG
(US10017516, Compound 59 | US9682983, 59)
Show SMILES CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H24N6O/c1-31-12-9-19(10-13-31)33-20-7-8-24(28-15-20)18-14-29-26-23(16-30-32(26)17-18)21-4-2-6-25-22(21)5-3-11-27-25/h2-8,11,14-17,19H,9-10,12-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70E+3n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.

US Patent


Assay Description
Compounds were assessed in ALK1-6 enzymatic assays. Specifically, compounds were assayed using LANCE® Ultra ULight technology (Perkin Elmer) against ...


US Patent US10017516 (2018)


BindingDB Entry DOI: 10.7270/Q20P12CN
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM161927
PNG
(US10017516, Compound 59 | US9682983, 59)
Show SMILES CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H24N6O/c1-31-12-9-19(10-13-31)33-20-7-8-24(28-15-20)18-14-29-26-23(16-30-32(26)17-18)21-4-2-6-25-22(21)5-3-11-27-25/h2-8,11,14-17,19H,9-10,12-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70E+3n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM161927
PNG
(US10017516, Compound 59 | US9682983, 59)
Show SMILES CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H24N6O/c1-31-12-9-19(10-13-31)33-20-7-8-24(28-15-20)18-14-29-26-23(16-30-32(26)17-18)21-4-2-6-25-22(21)5-3-11-27-25/h2-8,11,14-17,19H,9-10,12-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.87E+4n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.

US Patent


Assay Description
Compounds were assessed in ALK1-6 enzymatic assays. Specifically, compounds were assayed using LANCE® Ultra ULight technology (Perkin Elmer) against ...


US Patent US10017516 (2018)


BindingDB Entry DOI: 10.7270/Q20P12CN
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM161927
PNG
(US10017516, Compound 59 | US9682983, 59)
Show SMILES CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H24N6O/c1-31-12-9-19(10-13-31)33-20-7-8-24(28-15-20)18-14-29-26-23(16-30-32(26)17-18)21-4-2-6-25-22(21)5-3-11-27-25/h2-8,11,14-17,19H,9-10,12-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.87E+4n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair