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BDBM161927 US9682983, 59

SMILES: CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

InChI Key: InChIKey=QDSBPGDYULDNNW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 161927   
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))
BDBM161927
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM161927
PNG
(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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Activin receptor-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM161927
PNG
(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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Activin receptor type-1


(Homo sapiens)
BDBM161927
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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