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SMILES: C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

InChI Key: InChIKey=UOBWTNVFBCTTAN-HDICACEKSA-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 = 148375   
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))
BDBM148375
PNG
(US10017516, Compound 34 | US9682983, 34)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H25N7/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
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UniChem
US Patent
n/an/a 189n/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))
BDBM148375
PNG
(US10017516, Compound 34 | US9682983, 34)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H25N7/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 56n/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-1A


(Homo sapiens (Human))
BDBM148375
PNG
(US10017516, Compound 34 | US9682983, 34)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H25N7/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.28E+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-1B


(Homo sapiens (Human))
BDBM148375
PNG
(US10017516, Compound 34 | US9682983, 34)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H25N7/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
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n/an/a 6.08E+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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM148375
PNG
(US10017516, Compound 34 | US9682983, 34)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H25N7/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 189n/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))
BDBM148375
PNG
(US10017516, Compound 34 | US9682983, 34)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H25N7/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 56n/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))
BDBM148375
PNG
(US10017516, Compound 34 | US9682983, 34)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H25N7/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.28E+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-1B


(Homo sapiens (Human))
BDBM148375
PNG
(US10017516, Compound 34 | US9682983, 34)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H25N7/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
PDB
MMDB

Reactome pathway
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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 6.08E+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