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Compile Data Set for Download or QSAR

Found 273 hits with Last Name = 'shamim' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Activin receptor type-1


(Homo sapiens (Human))
BDBM603776
PNG
(US11654147, Compound 213)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnn2cc(cnc12)N1CCN(CC1)C1CCNCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603863
PNG
(US11654147, Compound 313 | US11654147, Compound 33...)
Show SMILES CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1ccncc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603850
PNG
(US11654147, Compound 298)
Show SMILES CN1CC2(C1)CN(C2)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603862
PNG
(US11654147, Compound 312 | US11654147, Compound 33...)
Show SMILES CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)cc2ccc(F)cc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603851
PNG
(US11654147, Compound 299 | US11654147, Compound 30...)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)OCCN(C)C
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603695
PNG
(US11654147, Compound 8)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603845
PNG
(US11654147, Compound 293)
Show SMILES CN1CC2(C1)CCN(CC2)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603784
PNG
(US11654147, Compound 221)
Show SMILES COc1ccc2nccc(-c3cnn4cc(cnc34)N3CC(C3)N3CCN(C)CC3)c2c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603798
PNG
(US11654147, Compound 237 | US11654147, Compound 24...)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(nc2ccccc12)C#N
PDB

KEGG

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n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM111123
PNG
(US10017516, Compound 2 | US9682983, 2)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C27H26N6/c1-18-13-28-14-19(2)33(18)22-9-7-20(8-10-22)21-15-30-27-25(16-31-32(27)17-21)23-11-12-29-26-6-4-3-5-24(23)26/h3-12,15-19,28H,13-14H2,1-2H3/t18-,19+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603716
PNG
(US11654147, Compound 27)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC2)c2ccncc2)c2ccccc2n1
PDB

KEGG

UniProtKB/SwissProt

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UniChem
n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603757
PNG
(US11654147, Compound 194 | US11654147, Compound 30...)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)N2CC(C2)N2CCOCC2)c2ccccc2n1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603864
PNG
(US11654147, Compound 314)
Show SMILES COc1cc(F)c2nccc(-c3cnn4cc(cnc34)N3CC(C3)N3CCN(C)CC3)c2c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603705
PNG
(US11654147, Compound 16)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
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UniChem
n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603709
PNG
(US11654147, Compound 20)
Show SMILES COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM111123
PNG
(US10017516, Compound 2 | US9682983, 2)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C27H26N6/c1-18-13-28-14-19(2)33(18)22-9-7-20(8-10-22)21-15-30-27-25(16-31-32(27)17-21)23-11-12-29-26-6-4-3-5-24(23)26/h3-12,15-19,28H,13-14H2,1-2H3/t18-,19+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466183
PNG
(CHEMBL4283638)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C28H27N5O2S/c1-19(32-14-4-5-15-32)20-8-10-21(11-9-20)22-16-30-28-26(17-31-33(28)18-22)24-12-13-27(36(29,34)35)25-7-3-2-6-23(24)25/h2-3,6-13,16-19H,4-5,14-15H2,1H3,(H2,29,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603861
PNG
(US11654147, Compound 311 | US11654147, Compound 33...)
Show SMILES CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)cc(F)cc12
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603725
PNG
(US11654147, Compound 42)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCCN(C)CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC sid
UniChem
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603735
PNG
(US11654147, Compound 53)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CC2CCC(C1)N2C
PDB

KEGG

UniProtKB/SwissProt

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UniChem
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603737
PNG
(US11654147, Compound 55)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1C[C@H]2C[C@@H]1CN2C |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603842
PNG
(US11654147, Compound 282)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(C)c(F)c12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603856
PNG
(US11654147, Compound 305)
Show SMILES CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1ccnc2ccc(C)cc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603817
PNG
(US11654147, Compound 256)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(OC(F)(F)F)cc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603851
PNG
(US11654147, Compound 299 | US11654147, Compound 30...)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)OCCN(C)C
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603722
PNG
(US11654147, Compound 39)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)C1CCNCC1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603732
PNG
(US11654147, Compound 49)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)N1CCN(C)CC1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603767
PNG
(US11654147, Compound 204)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)c1nnc(C)s1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603843
PNG
(US11654147, Compound 290)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1C[C@@H]2CNC[C@@H]2C1 |r|
PDB

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n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603821
PNG
(US11654147, Compound 260)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)ccc12
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603847
PNG
(US11654147, Compound 295)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)N2CC3(CC(N)C3)C2)c2ccccc2n1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603698
PNG
(US11654147, Compound 3)
Show SMILES NC(=O)c1ccc(-c2cnn3cc(cnc23)N2CCN(CC2)C2CCNCC2)c2ccccc12
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC sid
UniChem
n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603764
PNG
(US11654147, Compound 201)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(CC#N)(C1)N1CCN(C)CC1
PDB

KEGG

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n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603808
PNG
(US11654147, Compound 247)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cccc2[nH]ncc12
PDB

KEGG

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603833
PNG
(US11654147, Compound 273)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cn[nH]c12
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
n/an/a 14n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603785
PNG
(US11654147, Compound 222 | US11654147, Compound 32...)
Show SMILES CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
PDB

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n/an/a 14n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603846
PNG
(US11654147, Compound 294 | US11654147, Compound 29...)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)OCCN(C)C
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603865
PNG
(US11654147, Compound 315 | US11654147, Compound 34...)
Show SMILES CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)c(F)ccc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603772
PNG
(US11654147, Compound 209)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)c1ccncc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466195
PNG
(CHEMBL4278763)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C26H23N5O2S/c27-26(12-3-13-26)19-8-6-17(7-9-19)18-14-29-25-23(15-30-31(25)16-18)21-10-11-24(34(28,32)33)22-5-2-1-4-20(21)22/h1-2,4-11,14-16H,3,12-13,27H2,(H2,28,32,33)
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n/an/a 16n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603797
PNG
(US11654147, Compound 236 | US11654147, Compound 24...)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(nc2ccccc12)C(F)(F)F
PDB

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n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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Article
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n/an/a 17n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM603773
PNG
(US11654147, Compound 210)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)N2CC(C2)c2ccncc2)c2ccccc2n1
PDB

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n/an/a 17n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603811
PNG
(US11654147, Compound 250)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cnn(C)c1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603826
PNG
(US11654147, Compound 266)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(OC(F)(F)F)ccc12
PDB

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n/an/a 17n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603853
PNG
(US11654147, Compound 301)
Show SMILES Cc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)N1CCOCC1
PDB

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n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603696
PNG
(US11654147, Compound 15 | US11654147, Compound 346...)
Show SMILES COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603789
PNG
(US11654147, Compound 226)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(C)sc12
PDB

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n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM603825
PNG
(US11654147, Compound 264)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2c(F)cccc12
PDB

KEGG

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n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466190
PNG
(CHEMBL4288921)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C28H28N6O2S/c1-18-13-30-14-19(2)34(18)22-9-7-20(8-10-22)21-15-31-28-26(16-32-33(28)17-21)24-11-12-27(37(29,35)36)25-6-4-3-5-23(24)25/h3-12,15-19,30H,13-14H2,1-2H3,(H2,29,35,36)/t18-,19+
PDB

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n/an/a 19n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
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