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BDBM148371 US10017516, Compound 32::US9682983, 32

SMILES: CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

InChI Key: InChIKey=GIAGHNVPQYZDIK-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 148371   
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))
BDBM148371
PNG
(US10017516, Compound 32 | US9682983, 32)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C30H31N5O/c1-30(2,21-34-16-4-3-5-17-34)36-24-13-11-22(12-14-24)23-18-32-29-27(19-33-35(29)20-23)25-8-6-10-28-26(25)9-7-15-31-28/h6-15,18-20H,3-5,16-17,21H2,1-2H3
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n/an/a 17n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.

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))
BDBM148371
PNG
(US10017516, Compound 32 | US9682983, 32)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C30H31N5O/c1-30(2,21-34-16-4-3-5-17-34)36-24-13-11-22(12-14-24)23-18-32-29-27(19-33-35(29)20-23)25-8-6-10-28-26(25)9-7-15-31-28/h6-15,18-20H,3-5,16-17,21H2,1-2H3
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n/an/a 106n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.

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))
BDBM148371
PNG
(US10017516, Compound 32 | US9682983, 32)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C30H31N5O/c1-30(2,21-34-16-4-3-5-17-34)36-24-13-11-22(12-14-24)23-18-32-29-27(19-33-35(29)20-23)25-8-6-10-28-26(25)9-7-15-31-28/h6-15,18-20H,3-5,16-17,21H2,1-2H3
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n/an/a 370n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.

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))
BDBM148371
PNG
(US10017516, Compound 32 | US9682983, 32)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C30H31N5O/c1-30(2,21-34-16-4-3-5-17-34)36-24-13-11-22(12-14-24)23-18-32-29-27(19-33-35(29)20-23)25-8-6-10-28-26(25)9-7-15-31-28/h6-15,18-20H,3-5,16-17,21H2,1-2H3
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n/an/a 5.62E+3n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.

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))
BDBM148371
PNG
(US10017516, Compound 32 | US9682983, 32)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C30H31N5O/c1-30(2,21-34-16-4-3-5-17-34)36-24-13-11-22(12-14-24)23-18-32-29-27(19-33-35(29)20-23)25-8-6-10-28-26(25)9-7-15-31-28/h6-15,18-20H,3-5,16-17,21H2,1-2H3
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n/an/a 2.91E+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 (ALK1)


(Homo sapiens (Human))
BDBM148371
PNG
(US10017516, Compound 32 | US9682983, 32)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C30H31N5O/c1-30(2,21-34-16-4-3-5-17-34)36-24-13-11-22(12-14-24)23-18-32-29-27(19-33-35(29)20-23)25-8-6-10-28-26(25)9-7-15-31-28/h6-15,18-20H,3-5,16-17,21H2,1-2H3
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n/an/a 17n/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))
BDBM148371
PNG
(US10017516, Compound 32 | US9682983, 32)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C30H31N5O/c1-30(2,21-34-16-4-3-5-17-34)36-24-13-11-22(12-14-24)23-18-32-29-27(19-33-35(29)20-23)25-8-6-10-28-26(25)9-7-15-31-28/h6-15,18-20H,3-5,16-17,21H2,1-2H3
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n/an/a 106n/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-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM148371
PNG
(US10017516, Compound 32 | US9682983, 32)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C30H31N5O/c1-30(2,21-34-16-4-3-5-17-34)36-24-13-11-22(12-14-24)23-18-32-29-27(19-33-35(29)20-23)25-8-6-10-28-26(25)9-7-15-31-28/h6-15,18-20H,3-5,16-17,21H2,1-2H3
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n/an/a 370n/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/Activin receptor-like kinase 4 (ALK-4)


(Homo sapiens (Human))
BDBM148371
PNG
(US10017516, Compound 32 | US9682983, 32)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C30H31N5O/c1-30(2,21-34-16-4-3-5-17-34)36-24-13-11-22(12-14-24)23-18-32-29-27(19-33-35(29)20-23)25-8-6-10-28-26(25)9-7-15-31-28/h6-15,18-20H,3-5,16-17,21H2,1-2H3
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n/an/a 5.62E+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-1B (BMPR1B)


(Homo sapiens (Human))
BDBM148371
PNG
(US10017516, Compound 32 | US9682983, 32)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C30H31N5O/c1-30(2,21-34-16-4-3-5-17-34)36-24-13-11-22(12-14-24)23-18-32-29-27(19-33-35(29)20-23)25-8-6-10-28-26(25)9-7-15-31-28/h6-15,18-20H,3-5,16-17,21H2,1-2H3
PDB

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n/an/a 2.91E+3n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.

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