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Compile Data Set for Download or QSAR

Found 64 hits of ic50 data for polymerid = 50003648   
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
Activin receptor type-1B


(Homo sapiens)
BDBM50015639
PNG
(CHEMBL3260567)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin) by radioisotopic assay


J Med Chem 57: 4213-38 (2014)

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


(Homo sapiens)
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 23n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin) by radioisotopic assay


J Med Chem 57: 4213-38 (2014)

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


(Homo sapiens)
BDBM143311
PNG
(US9682983, 11)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
Show InChI InChI=1/C28H28N6/c1-18-12-25(24-6-4-5-7-27(24)32-18)26-16-31-33-17-22(15-30-28(26)33)21-8-10-23(11-9-21)34-19(2)13-29-14-20(34)3/h4-12,15-17,19-20,29H,13-14H2,1-3H3/t19-,20+
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n/an/a 25n/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...


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


(Homo sapiens)
BDBM50382317
PNG
(CHEMBL2024684)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3
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n/an/a 59n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK4


Bioorg Med Chem Lett 22: 3392-7 (2012)

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


(Homo sapiens)
BDBM50298220
PNG
(2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...)
Show SMILES Cc1cccc(n1)-c1nc([nH]c1-c1ccc2OCOc2c1)C(C)(C)C
Show InChI InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)
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n/an/a 70n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin) by radioisotopic assay


J Med Chem 57: 4213-38 (2014)

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


(Homo sapiens)
BDBM161920
PNG
(US9682983, 52 | US9682983, 53)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1/C27H26N6/c1-18-13-28-14-19(2)33(18)22-10-8-20(9-11-22)21-15-30-27-25(16-31-32(27)17-21)23-5-3-7-26-24(23)6-4-12-29-26/h3-12,15-19,28H,13-14H2,1-2H3/t18-,19+
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n/an/a 110n/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...


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


(Homo sapiens)
BDBM143282
PNG
(US9682983, 10)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C26H24N6/c1-18-14-23(22-4-2-3-5-25(22)30-18)24-16-29-32-17-20(15-28-26(24)32)19-6-8-21(9-7-19)31-12-10-27-11-13-31/h2-9,14-17,27H,10-13H2,1H3
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n/an/a 116n/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...


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


(Homo sapiens)
BDBM143566
PNG
(US9682983, 13)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)C2CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C27H25N5/c1-18-14-24(23-4-2-3-5-26(23)31-18)25-16-30-32-17-22(15-29-27(25)32)20-8-6-19(7-9-20)21-10-12-28-13-11-21/h2-9,14-17,21,28H,10-13H2,1H3
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n/an/a 125n/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...


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


(Homo sapiens)
BDBM50434750
PNG
(CHEMBL2385596)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H24N6/c1-30-12-14-31(15-13-30)21-8-6-19(7-9-21)20-16-28-26-24(17-29-32(26)18-20)22-10-11-27-25-5-3-2-4-23(22)25/h2-11,16-18H,12-15H2,1H3
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n/an/a 183n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)

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


(Homo sapiens)
BDBM50015640
PNG
(GALUNISERTIB | LY-2157299)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O
Show InChI InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
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n/an/a 199n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin) by radioisotopic assay


J Med Chem 57: 4213-38 (2014)

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


(Homo sapiens)
BDBM143313
PNG
(US9682983, 12)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H23N7/c1-17-12-21(20-4-2-3-5-23(20)30-17)22-15-29-32-16-19(14-28-25(22)32)18-6-7-24(27-13-18)31-10-8-26-9-11-31/h2-7,12-16,26H,8-11H2,1H3
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n/an/a 259n/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...


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


(Homo sapiens)
BDBM50434752
PNG
(CHEMBL2385582)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H21N5O/c1-2-4-24-22(3-1)21(9-10-26-24)23-16-28-30-17-19(15-27-25(23)30)18-5-7-20(8-6-18)29-11-13-31-14-12-29/h1-10,15-17H,11-14H2
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n/an/a 326n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)

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


(Homo sapiens)
BDBM143246
PNG
(US9682983, 8)
Show SMILES Clc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H21ClN6/c26-24-13-21(20-3-1-2-4-23(20)30-24)22-15-29-32-16-18(14-28-25(22)32)17-5-7-19(8-6-17)31-11-9-27-10-12-31/h1-8,13-16,27H,9-12H2
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n/an/a 353n/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...


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


(Homo sapiens)
BDBM111123
PNG
(US9682983, 2)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1/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+
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n/an/a 556n/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...


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


(Homo sapiens)
BDBM148353
PNG
(US9682983, 24)
Show SMILES OCc1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H24N6O/c33-17-19-2-1-3-23-22(8-9-28-25(19)23)24-15-30-32-16-20(14-29-26(24)32)18-4-6-21(7-5-18)31-12-10-27-11-13-31/h1-9,14-16,27,33H,10-13,17H2
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n/an/a 818n/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...


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


(Homo sapiens)
BDBM148372
PNG
(US9682983, 33)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1/C26H25N7/c1-17-11-27-12-18(2)33(17)25-8-7-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-9-10-28-24-6-4-3-5-22(21)24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
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n/an/a 1.39E+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...


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


(Homo sapiens)
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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n/an/a 1.83E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)

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


(Homo sapiens)
BDBM50262016
PNG
(4-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H16N4O/c1-27-17-8-6-15(7-9-17)16-12-24-22-20(13-25-26(22)14-16)18-10-11-23-21-5-3-2-4-19(18)21/h2-14H,1H3
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n/an/a 1.84E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)

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


(Homo sapiens)
BDBM148356
PNG
(US9682983, 27)
Show SMILES Nc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H23N7/c26-19-3-6-22-21(7-8-28-24(22)13-19)23-15-30-32-16-18(14-29-25(23)32)17-1-4-20(5-2-17)31-11-9-27-10-12-31/h1-8,13-16,27H,9-12,26H2
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n/an/a 2.60E+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...


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


(Homo sapiens)
BDBM161922
PNG
(US9682983, 54)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2nc(C)ccc12
Show InChI InChI=1/C28H28N6/c1-18-7-12-25-24(5-4-6-27(25)32-18)26-16-31-33-17-22(15-30-28(26)33)21-8-10-23(11-9-21)34-19(2)13-29-14-20(34)3/h4-12,15-17,19-20,29H,13-14H2,1-3H3/t19-,20+
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n/an/a 2.63E+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...


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


(Homo sapiens)
BDBM148388
PNG
(US9682983, 37)
Show SMILES N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H21N7/c27-14-19-13-18(5-6-25(19)32-11-9-28-10-12-32)20-15-30-26-23(16-31-33(26)17-20)21-7-8-29-24-4-2-1-3-22(21)24/h1-8,13,15-17,28H,9-12H2
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n/an/a 2.72E+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...


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


(Homo sapiens)
BDBM127883
PNG
(US9682983, 6)
Show SMILES C1N[C@H]2C[C@@H]1N(C2)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1/C26H22N6/c1-2-4-25-23(3-1)22(9-10-27-25)24-14-30-32-15-18(12-29-26(24)32)17-5-7-20(8-6-17)31-16-19-11-21(31)13-28-19/h1-10,12,14-15,19,21,28H,11,13,16H2/t19-,21-/s2
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n/an/a 3.22E+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...


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


(Homo sapiens)
BDBM108945
PNG
(US9682983, 48)
Show SMILES C1CC(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H23N5/c1-2-4-25-23(3-1)22(11-14-28-25)24-16-30-31-17-21(15-29-26(24)31)19-7-5-18(6-8-19)20-9-12-27-13-10-20/h1-8,11,14-17,20,27H,9-10,12-13H2
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n/an/a 3.24E+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...


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


(Homo sapiens)
BDBM50434749
PNG
(CHEMBL2385586)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C19H19N7/c1-3-17(25-7-5-20-6-8-25)4-2-14(1)16-9-21-19-18(12-24-26(19)13-16)15-10-22-23-11-15/h1-4,9-13,20H,5-8H2,(H,22,23)
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n/an/a 3.42E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)

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


(Homo sapiens)
BDBM143207
PNG
(US9682983, 7)
Show SMILES C1CN(CCN1)c1cnc(s1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H19N7S/c1-2-4-19-17(3-1)16(5-6-24-19)18-12-27-29-14-15(11-25-21(18)29)22-26-13-20(30-22)28-9-7-23-8-10-28/h1-6,11-14,23H,7-10H2
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n/an/a 3.48E+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...


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


(Homo sapiens)
BDBM118134
PNG
(US9682983, 3)
Show SMILES C1CN(CCN1)c1ccc(nc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H21N7/c1-2-4-23-20(3-1)19(7-8-26-23)21-15-29-31-16-17(13-28-24(21)31)22-6-5-18(14-27-22)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 3.68E+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...


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


(Homo sapiens)
BDBM102618
PNG
(LDN-212854)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 4.09E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)

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


(Homo sapiens)
BDBM160478
PNG
(US9682983, 41)
Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H25N7O/c1-2-4-24-22(3-1)21(7-8-28-24)23-17-31-33-18-20(16-30-26(23)33)19-5-6-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2
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n/an/a 4.32E+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...


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


(Homo sapiens)
BDBM148379
PNG
(US9682983, 35)
Show SMILES Clc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H21ClN6/c26-22-13-17(5-6-24(22)31-11-9-27-10-12-31)18-14-29-25-21(15-30-32(25)16-18)19-7-8-28-23-4-2-1-3-20(19)23/h1-8,13-16,27H,9-12H2
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n/an/a 5.42E+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...


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


(Homo sapiens)
BDBM148371
PNG
(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.; 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...


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


(Homo sapiens)
BDBM50434751
PNG
(CHEMBL2385579)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C19H18N6O/c1-3-17(24-5-7-26-8-6-24)4-2-14(1)16-9-20-19-18(12-23-25(19)13-16)15-10-21-22-11-15/h1-4,9-13H,5-8H2,(H,21,22)
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n/an/a 5.93E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)

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


(Homo sapiens)
BDBM148375
PNG
(US9682983, 34)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1/C26H25N7/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
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n/an/a 6.08E+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...


Citation and Details
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...


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


(Homo sapiens)
BDBM148357
PNG
(US9682983, 28)
Show SMILES Oc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H22N6O/c32-20-5-6-22-21(7-8-27-24(22)13-20)23-15-29-31-16-18(14-28-25(23)31)17-1-3-19(4-2-17)30-11-9-26-10-12-30/h1-8,13-16,26,32H,9-12H2
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n/an/a 6.70E+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...


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


(Homo sapiens)
BDBM161911
PNG
(US9682983, 43)
Show SMILES CN1CCN(CCOc2ccc(cn2)-c2cnc3c(cnn3c2)-c2ccnc3ccccc23)CC1
Show InChI InChI=1S/C27H27N7O/c1-32-10-12-33(13-11-32)14-15-35-26-7-6-20(16-29-26)21-17-30-27-24(18-31-34(27)19-21)22-8-9-28-25-5-3-2-4-23(22)25/h2-9,16-19H,10-15H2,1H3
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n/an/a 7.48E+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...


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


(Homo sapiens)
BDBM161920
PNG
(US9682983, 52 | US9682983, 53)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1/C27H26N6/c1-18-13-28-14-19(2)33(18)22-10-8-20(9-11-22)21-15-30-27-25(16-31-32(27)17-21)23-5-3-7-26-24(23)6-4-12-29-26/h3-12,15-19,28H,13-14H2,1-2H3/t18-,19+
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n/an/a 8.09E+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...


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


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 9.12E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin) by radioisotopic assay


J Med Chem 57: 4213-38 (2014)

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


(Homo sapiens)
BDBM36354
PNG
(4-(6-(4-isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-...)
Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
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n/an/a 9.62E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)

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


(Homo sapiens)
BDBM50389320
PNG
(CHEMBL2063926)
Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C26H35N9S/c1-36-21-5-3-2-4-20(21)31-25-22-23(24(30-17-29-22)28-16-18-6-7-18)32-26(33-25)35-14-12-34(13-15-35)19-8-10-27-11-9-19/h2-5,17-19,27H,6-16H2,1H3,(H,28,29,30)(H,31,32,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutical Companies of Johnson& Johnson

Curated by ChEMBL


Assay Description
Inhibition of ALK4 by FRET assay


Bioorg Med Chem Lett 22: 5326-9 (2012)

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


(Homo sapiens)
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACVR1B


Bioorg Med Chem Lett 22: 4613-8 (2012)

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


(Homo sapiens)
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK4 catalytic domain (150 to 505 residues) expressed in baculovirus expression system


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


(Homo sapiens)
BDBM161916
PNG
(US9682983, 48)
Show SMILES Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cn1
Show InChI InChI=1S/C28H28N6O/c1-20-8-10-24-23(6-5-7-27(24)32-20)25-18-31-34-19-21(16-30-28(25)34)26-11-9-22(17-29-26)35-15-14-33-12-3-2-4-13-33/h5-11,16-19H,2-4,12-15H2,1H3
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n/an/a 1.08E+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...


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


(Homo sapiens)
BDBM160069
PNG
(US9682983, 39)
Show SMILES Fc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H21FN6/c26-22-13-17(5-6-24(22)31-11-9-27-10-12-31)18-14-29-25-21(15-30-32(25)16-18)19-7-8-28-23-4-2-1-3-20(19)23/h1-8,13-16,27H,9-12H2
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n/an/a 1.20E+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...


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


(Homo sapiens)
BDBM160477
PNG
(US9682983, 40)
Show SMILES Fc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C25H21FN6/c26-22-13-17(6-7-24(22)31-11-9-27-10-12-31)18-14-29-25-21(15-30-32(25)16-18)19-3-1-5-23-20(19)4-2-8-28-23/h1-8,13-16,27H,9-12H2
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n/an/a 1.37E+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...


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


(Homo sapiens)
BDBM160009
PNG
(US9682983, 38)
Show SMILES N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H21N7/c27-14-19-13-18(6-7-25(19)32-11-9-28-10-12-32)20-15-30-26-23(16-31-33(26)17-20)21-3-1-5-24-22(21)4-2-8-29-24/h1-8,13,15-17,28H,9-12H2
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n/an/a 1.41E+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...


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


(Homo sapiens)
BDBM148370
PNG
(US9682983, 31)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C28H27N5O/c1-2-14-32(15-3-1)16-17-34-23-11-9-21(10-12-23)22-18-30-28-26(19-31-33(28)20-22)24-6-4-8-27-25(24)7-5-13-29-27/h4-13,18-20H,1-3,14-17H2
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n/an/a 1.41E+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...


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


(Homo sapiens)
BDBM148387
PNG
(US9682983, 36)
Show SMILES Clc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C25H21ClN6/c26-22-13-17(6-7-24(22)31-11-9-27-10-12-31)18-14-29-25-21(15-30-32(25)16-18)19-3-1-5-23-20(19)4-2-8-28-23/h1-8,13-16,27H,9-12H2
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n/an/a 1.46E+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...


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


(Homo sapiens)
BDBM148349
PNG
(US9682983, 23)
Show SMILES NC(=O)c1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H23N7O/c27-25(34)22-3-1-2-21-20(8-9-29-24(21)22)23-15-31-33-16-18(14-30-26(23)33)17-4-6-19(7-5-17)32-12-10-28-11-13-32/h1-9,14-16,28H,10-13H2,(H2,27,34)
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n/an/a 1.52E+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...


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


(Homo sapiens)
BDBM143721
PNG
(US9682983, 15)
Show SMILES NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H23N7O/c27-25(34)18-3-6-22-21(7-8-29-24(22)13-18)23-15-31-33-16-19(14-30-26(23)33)17-1-4-20(5-2-17)32-11-9-28-10-12-32/h1-8,13-16,28H,9-12H2,(H2,27,34)
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n/an/a 1.80E+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...


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


(Homo sapiens)
BDBM161926
PNG
(US9682983, 58)
Show SMILES Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OC(C)(C)CN2CCCCC2)cn1
Show InChI InChI=1S/C30H32N6O/c1-21-10-12-25-24(8-7-9-28(25)34-21)26-18-33-36-19-22(16-32-29(26)36)27-13-11-23(17-31-27)37-30(2,3)20-35-14-5-4-6-15-35/h7-13,16-19H,4-6,14-15,20H2,1-3H3
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n/an/a 2.23E+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...


Citation and Details
More data for this
Ligand-Target Pair
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