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BDBM111122 US9682983, 1::US9682983, 17

SMILES: C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

InChI Key: InChIKey=YTUZELSDHUVEFM-UHFFFAOYSA-N

Data: 11 IC50

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 11 hits for monomerid = 111122   
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))
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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PC sid
UniChem
n/an/a 83n/an/an/an/an/an/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)
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 29n/an/an/an/an/an/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-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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UniChem
n/an/a 864n/an/an/an/an/an/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)
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 2.70E+4n/an/an/an/an/an/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
TGF-beta receptor type I


(Homo sapiens)
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 2.06E+4n/an/an/an/an/an/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 (BMPR1B)


(Homo sapiens (Human))
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 229n/an/an/an/an/an/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))
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 112n/an/an/an/an/an/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)
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 40n/an/an/an/an/an/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-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 146n/an/an/an/an/an/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)
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 6.49E+3n/an/an/an/an/an/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 (BMPR1B)


(Homo sapiens (Human))
BDBM111122
PNG
(US9682983, 1 | US9682983, 17)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 2.25E+3n/an/an/an/an/an/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