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Compile Data Set for Download or QSAR

Found 2575 hits of affinity data for UniProtKB/TrEMBL: Q04771   
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))		BDBM621073
PNG
(Synthesis of 5-(3-(4-fluorobenzylamino)-1-(6-methy...)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM518186
PNG
(US11111247, Example 17)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN[C@H](C)C3)c2n1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.850n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM518192
PNG
(US11111247, Example 22)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(cc3)N3CCN(C)CC3)c2n1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.980n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575192
PNG
(US11459329, Example 66)
Show SMILES Cc1cnn(n1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN2CC[C@](C)(O)C2)cc1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575148
PNG
(US11459329, Example 22)
Show SMILES Cc1nn2c(cnc2cc1-c1ccc(cc1)N1CCNCC1)-c1ccnc2cc(Nc3cccnc3)ccc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575137
PNG
(US11459329, Example 11)
Show SMILES Cc1nn2c(cnc2cc1-c1ccc(cc1)N1CCN(CCO)CC1)-c1ccnc2cc(ccc12)-c1ccncc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575135
PNG
(US11459329, Example 9)
Show SMILES Cc1nn2c(cnc2cc1-c1cnn(CC2CCNCC2)c1)-c1ccnc2cc(ccc12)-c1ccncc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575133
PNG
(US11459329, Example 7)
Show SMILES OCc1nn2c(cnc2cc1-c1ccc(cc1)N1CCNCC1)-c1ccnc2ccccc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
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
AffyNet 
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 [147-509]


(Homo sapiens (Human))		BDBM575153
PNG
(US11459329, Example 27)
Show SMILES Cc1nn2c(cnc2cc1-c1ccc(cc1)N1CCNCC1)-c1ccnc2ncccc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575155
PNG
(US11459329, Example 29)
Show SMILES Cc1nn2c(cnc2cc1-c1ccc(cc1)N1CCNCC1)-c1ccnc2OCCOc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575162
PNG
(US11459329, Example 36)
Show SMILES Cc1cn2c(cnc2cc1-c1cnn(c1)C1CCNCC1)-c1ccc(C(N)=O)c(F)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575163
PNG
(US11459329, Example 37)
Show SMILES Cc1nn2c(cnc2cc1-c1cnn(c1)[C@H]1CC[C@H](O)CC1)-c1ccnc2nc(ccc12)-c1ccccn1 |r,wU:18.21,wD:15.17,(-.29,-1.34,;-1.2,-2.58,;-2.73,-2.42,;-3.63,-3.67,;-5.17,-3.83,;-5.49,-5.33,;-4.15,-6.1,;-3.01,-5.07,;-1.48,-5.23,;-.57,-3.99,;.96,-4.15,;1.73,-5.48,;3.24,-5.16,;3.4,-3.63,;1.99,-3.01,;4.73,-2.86,;6.07,-3.63,;7.4,-2.86,;7.4,-1.32,;8.73,-.55,;6.07,-.55,;4.73,-1.32,;-6.2,-2.68,;-7.7,-3,;-8.73,-1.86,;-8.26,-.39,;-6.75,-.07,;-6.27,1.39,;-4.77,1.71,;-3.74,.57,;-4.21,-.9,;-5.72,-1.22,;-4.29,3.18,;-5.32,4.32,;-4.85,5.78,;-3.34,6.1,;-2.31,4.96,;-2.79,3.5,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575164
PNG
(US11459329, Example 38)
Show SMILES Cc1nn2c(cnc2cc1-c1ccc(CN2CCC2)cc1)-c1ccnc2nc(ccc12)-c1ccccn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575166
PNG
(US11459329, Example 40)
Show SMILES CC(C)n1cc(cn1)-c1cc2ncc(-c3ccnc4nc(ccc34)-c3ncccn3)n2nc1C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575174
PNG
(US11459329, Example 48)
Show SMILES Cc1cc(n[nH]1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN2CCC2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575175
PNG
(US11459329, Example 49)
Show SMILES Cc1cc(n[nH]1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN2CCOCC2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575176
PNG
(US11459329, Example 50)
Show SMILES CC(C)n1cc(cn1)-c1cc2ncc(-c3ccnc4nc(ccc34)-c3cc(C)[nH]n3)n2nc1C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575178
PNG
(US11459329, Example 52)
Show SMILES CCn1cnc(c1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN2CCCC2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575180
PNG
(US11459329, Example 54)
Show SMILES CCn1cnc(c1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN(C)C)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575184
PNG
(US11459329, Example 58)
Show SMILES CCn1cnc(c1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN2CCO[C@@H](C)C2)cc1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575188
PNG
(US11459329, Example 62)
Show SMILES Cc1cnn(n1)-c1ccc2c(ccnc2n1)-c1cnc2cc(-c3cnn(c3)C3CCOCC3)c(C)nn12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575193
PNG
(US11459329, Example 67)
Show SMILES Cc1cnn(n1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN2CCC(O)CC2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575194
PNG
(US11459329, Example 68)
Show SMILES Cc1cnn(n1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN2CCC(C)(O)CC2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575198
PNG
(1-(4-(3-(7-(1-Ethyl-1H-imidazol-4-yl)-1,8-naphthyr...)
Show SMILES CCn1cnc(c1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN2CCC(C)(O)CC2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM640389
PNG
(US11840546, Example 1)
Show SMILES CCn1cnc(c1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM640390
PNG
(US11840546, Example 2)
Show SMILES CCn1cnc(c1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN2CC3CCC2CC3)cc1 |(-6.36,6.78,;-4.85,6.46,;-4.37,4.99,;-2.91,4.52,;-2.91,2.98,;-4.37,2.5,;-5.28,3.75,;-4.85,1.04,;-3.82,-.11,;-4.3,-1.57,;-5.8,-1.89,;-6.28,-3.36,;-7.78,-3.68,;-8.82,-2.53,;-8.34,-1.07,;-6.83,-.75,;-6.36,.72,;-5.25,-4.5,;-5.57,-6.01,;-4.23,-6.78,;-3.09,-5.75,;-1.56,-5.91,;-.65,-4.66,;-1.28,-3.26,;-.37,-2.01,;-2.81,-3.09,;-3.72,-4.34,;.88,-4.82,;1.5,-6.23,;3.04,-6.39,;3.94,-5.15,;5.47,-5.31,;6.38,-4.06,;7.91,-4.22,;8.82,-2.98,;8.19,-1.57,;6.66,-1.41,;5.75,-2.65,;7.09,-3.42,;7.48,-1.94,;3.32,-3.74,;1.78,-3.58,)|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM640391
PNG
(US11840546, Example 3)
Show SMILES Cc1cnn(n1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(CN2CC3CCC2CC3)cc1 |(-4.85,6.62,;-4.37,5.15,;-2.91,4.68,;-2.91,3.14,;-4.37,2.66,;-5.28,3.91,;-4.85,1.2,;-3.82,.05,;-4.3,-1.41,;-5.8,-1.73,;-6.28,-3.2,;-7.78,-3.52,;-8.82,-2.37,;-8.34,-.91,;-6.83,-.59,;-6.36,.88,;-5.25,-4.34,;-5.57,-5.85,;-4.23,-6.62,;-3.09,-5.59,;-1.56,-5.75,;-.65,-4.5,;-1.28,-3.1,;-.37,-1.85,;-2.81,-2.93,;-3.72,-4.18,;.88,-4.66,;1.5,-6.07,;3.04,-6.23,;3.94,-4.99,;5.47,-5.15,;6.38,-3.9,;7.91,-4.06,;8.82,-2.82,;8.19,-1.41,;6.66,-1.25,;5.75,-2.49,;7.09,-3.26,;7.48,-1.78,;3.32,-3.58,;1.78,-3.42,)|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM640392
PNG
(US11840546, Example 4)
Show SMILES Cc1cnn(n1)-c1ccc2c(ccnc2n1)-c1cnc2cc(c(C)nn12)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r|
PDB

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TBA



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More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM50560457
PNG
(CHEMBL4790396)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1csc2nccnc12
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TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575127
PNG
(US11459329, Example 1)
Show SMILES Cc1nn2c(cnc2cc1-c1ccc(cc1)N1CCNCC1)-c1ccnc2ccccc12
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Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575128
PNG
(US11459329, Example 2)
Show SMILES COC(=O)c1nn2c(cnc2cc1-c1ccc(cc1)N1CCNCC1)-c1ccnc2ccccc12
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Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))		BDBM575132
PNG
(US11459329, Example 6)
Show SMILES N#Cc1nn2c(cnc2cc1-c1ccc(cc1)N1CCNCC1)-c1ccnc2ccccc12
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Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NQR
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM102619
PNG
(K02288a | US10688093, Compound 382_0087_0284 | US1...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1
Show InChI InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128452
BindingDB Entry DOI: 10.7270/Q2JS9VGJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))		BDBM518173
PNG
(US11111247, Example 9)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CN(C[C@H]1C)C(=O)N1CCCC1 |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
Activin receptor type-1 [R206H]


(Homo sapiens (Human))		BDBM488058
PNG
(N-(4-(4-(2- Methoxyethyl)piperazin- 1-yl)phenyl)-4...)
Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(nc2-c2cccnc2)C2CCOC2)cc1
Show InChI InChI=1S/C29H34N8O2/c1-38-18-16-35-12-14-36(15-13-35)24-6-4-23(5-7-24)32-29-31-11-8-27(33-29)26-20-37(25-9-17-39-21-25)34-28(26)22-3-2-10-30-19-22/h2-8,10-11,19-20,25H,9,12-18,21H2,1H3,(H,31,32,33)
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RIKEN; THE UNIVERSITY OF TOKYO

US Patent


Assay Description
R206H: An overview of evaluation of an inhibitory effect of a compound of the present invention with respect to ALK2 (R206H) is as follows.In a buffe...

US Patent US10954216 (2021)


BindingDB Entry DOI: 10.7270/Q2P84G0W
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM518193
PNG
(US11111247, Example 23)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(N4CCN(C)CC4)c(F)c3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
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
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BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM50528203
PNG
(CHEMBL4434694)
Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 G328V mutant (unknown origin)

J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
BindingDB Entry DOI: 10.7270/Q2MK6HB1
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM50528195
PNG
(CHEMBL4435320)
Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 R258G mutant (unknown origin)

J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
BindingDB Entry DOI: 10.7270/Q2MK6HB1
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM50528195
PNG
(CHEMBL4435320)
Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 G328V mutant (unknown origin)

J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
BindingDB Entry DOI: 10.7270/Q2MK6HB1
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM621068
PNG
(US20230303562, Example 6)
Show SMILES Cc1cccc(n1)-n1nccc1-c1cnn2ccnc2c1
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n/an/a 2.36n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM518135
PNG
(US11111247, Example 1)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CCC[C@H]1C |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
Activin receptor type-1 [R206H]


(Homo sapiens (Human))		BDBM488080
PNG
(N-(4-(1-Ethyl-3- (pyridin-3-yl)-1H- pyrazol-4- yl)...)
Show SMILES CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CN(C)CCc3c2)n1
Show InChI InChI=1S/C24H25N7/c1-3-31-16-21(23(29-31)18-5-4-10-25-14-18)22-8-11-26-24(28-22)27-20-7-6-19-15-30(2)12-9-17(19)13-20/h4-8,10-11,13-14,16H,3,9,12,15H2,1-2H3,(H,26,27,28)
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RIKEN; THE UNIVERSITY OF TOKYO

US Patent


Assay Description
R206H: An overview of evaluation of an inhibitory effect of a compound of the present invention with respect to ALK2 (R206H) is as follows.In a buffe...

US Patent US10954216 (2021)


BindingDB Entry DOI: 10.7270/Q2P84G0W
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM50596223
PNG
(CHEMBL5200241)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128452
BindingDB Entry DOI: 10.7270/Q2JS9VGJ
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
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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
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BindingDB Entry DOI: 10.7270/Q27085CT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM50528196
PNG
(CHEMBL4575655)
Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27FN4O2/c1-16-20(17-4-6-19(7-5-17)30-10-8-29(2)9-11-30)14-28-15-21(16)18-12-22(26)24(25(27)31)23(13-18)32-3/h4-7,12-15H,8-11H2,1-3H3,(H2,27,31)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay

J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
BindingDB Entry DOI: 10.7270/Q2MK6HB1
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM50528195
PNG
(CHEMBL4435320)
Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay

J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
BindingDB Entry DOI: 10.7270/Q2MK6HB1
More data for this
Ligand-Target Pair
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