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SMILES: NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=QYTUSJSFZCPMSV-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 143721   
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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM143721
PNG
(US10017516, Compound 15 | US9682983, 15)
Show SMILES NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+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
Activin receptor type-1


(Homo sapiens (Human))
BDBM143721
PNG
(US10017516, Compound 15 | US9682983, 15)
Show SMILES NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 127n/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-1B


(Homo sapiens (Human))
BDBM143721
PNG
(US10017516, Compound 15 | US9682983, 15)
Show SMILES NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
PDB
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n/an/a 1.80E+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
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM143721
PNG
(US10017516, Compound 15 | US9682983, 15)
Show SMILES NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 605n/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))
BDBM143721
PNG
(US10017516, Compound 15 | US9682983, 15)
Show SMILES NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+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
Activin receptor type-1


(Homo sapiens (Human))
BDBM143721
PNG
(US10017516, Compound 15 | US9682983, 15)
Show SMILES NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 127n/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
Activin receptor type-1B


(Homo sapiens (Human))
BDBM143721
PNG
(US10017516, Compound 15 | US9682983, 15)
Show SMILES NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+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))
BDBM143721
PNG
(US10017516, Compound 15 | US9682983, 15)
Show SMILES NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 605n/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