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Compile Data Set for Download or QSAR

Found 71 hits of ic50 data for polymerid = 10920   
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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM148348
PNG
(US9682983, 22)
Show SMILES OC(=O)c1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H22N6O2/c33-26(34)22-3-1-2-21-20(8-9-28-24(21)22)23-15-30-32-16-18(14-29-25(23)32)17-4-6-19(7-5-17)31-12-10-27-11-13-31/h1-9,14-16,27H,10-13H2,(H,33,34)
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n/an/a 15n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 22n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 38n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 48n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK6 (unknown origin)


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

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 51n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 52n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 57n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK6 (unknown origin)


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

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(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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n/an/a 60n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK6 (unknown origin)


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

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 61n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK6 (unknown origin)


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

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 93n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK6 (unknown origin)


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

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM50434748
PNG
(CHEMBL2385600)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C16H13N5O/c1-22-14-4-2-11(3-5-14)13-6-17-16-15(9-20-21(16)10-13)12-7-18-19-8-12/h2-10H,1H3,(H,18,19)
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n/an/a 102n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK6 (unknown origin)


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

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 106n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM50311017
PNG
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
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n/an/a 107 19n/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...


Citation and Details
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 129n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK6 (unknown origin)


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

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 140n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 150n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM161913
PNG
(US9682983, 45)
Show SMILES Clc1cc(ccc1OCCN1CCCCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C28H26ClN5O/c29-25-16-20(8-9-27(25)35-15-14-33-12-4-1-5-13-33)21-17-31-28-24(18-32-34(28)19-21)22-10-11-30-26-7-3-2-6-23(22)26/h2-3,6-11,16-19H,1,4-5,12-15H2
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n/an/a 184n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 204n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 213n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 226n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 229n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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n/an/a 235n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK6 (unknown origin)


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

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 278n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 361n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM143722
PNG
(US9682983, 16)
Show SMILES OCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H24N6O/c33-17-18-1-6-23-22(7-8-28-25(23)13-18)24-15-30-32-16-20(14-29-26(24)32)19-2-4-21(5-3-19)31-11-9-27-10-12-31/h1-8,13-16,27,33H,9-12,17H2
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n/an/a 424n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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n/an/a 467n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK6 (unknown origin) by radioisotopic assay


J Med Chem 57: 4213-38 (2014)

More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM148354
PNG
(US9682983, 25)
Show SMILES NCc1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H25N7/c27-14-19-2-1-3-23-22(8-9-29-25(19)23)24-16-31-33-17-20(15-30-26(24)33)18-4-6-21(7-5-18)32-12-10-28-11-13-32/h1-9,15-17,28H,10-14,27H2
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n/an/a 590n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 605n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 823n/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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM148355
PNG
(US9682983, 26)
Show SMILES CC(=O)Nc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C27H25N7O/c1-18(35)32-21-4-7-24-23(8-9-29-26(24)14-21)25-16-31-34-17-20(15-30-27(25)34)19-2-5-22(6-3-19)33-12-10-28-11-13-33/h2-9,14-17,28H,10-13H2,1H3,(H,32,35)
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n/an/a 1.05E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM161928
PNG
(US9682983, 60)
Show SMILES CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2nc(C)ccc12
Show InChI InChI=1S/C27H26N6O/c1-18-6-8-23-22(4-3-5-26(23)31-18)24-16-30-33-17-19(14-29-27(24)33)25-9-7-21(15-28-25)34-20-10-12-32(2)13-11-20/h3-9,14-17,20H,10-13H2,1-2H3
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n/an/a 1.11E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 1.38E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 1.50E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM148330
PNG
(US9682983, 20)
Show SMILES NCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H25N7/c27-14-18-1-6-23-22(7-8-29-25(23)13-18)24-16-31-33-17-20(15-30-26(24)33)19-2-4-21(5-3-19)32-11-9-28-10-12-32/h1-8,13,15-17,28H,9-12,14,27H2
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n/an/a 1.51E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM143618
PNG
(US9682983, 14)
Show SMILES OCCNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C28H29N7O/c36-14-11-30-16-20-1-6-25-24(7-8-31-27(25)15-20)26-18-33-35-19-22(17-32-28(26)35)21-2-4-23(5-3-21)34-12-9-29-10-13-34/h1-8,15,17-19,29-30,36H,9-14,16H2
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n/an/a 1.76E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM161930
PNG
(US9682983, 62)
Show SMILES Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OC2CCNCC2)cn1
Show InChI InChI=1S/C26H24N6O/c1-17-5-7-22-21(3-2-4-25(22)31-17)23-15-30-32-16-18(13-29-26(23)32)24-8-6-20(14-28-24)33-19-9-11-27-12-10-19/h2-8,13-16,19,27H,9-12H2,1H3
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n/an/a 1.85E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 2.19E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 2.25E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM148363
PNG
(US9682983, 30)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C24H21N7/c1-3-19(20-4-2-8-26-22(20)5-1)21-15-29-31-16-18(14-28-24(21)31)17-6-7-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
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n/an/a 2.48E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM148328
PNG
(US9682983, 18)
Show SMILES CNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C27H27N7/c1-28-15-19-2-7-24-23(8-9-30-26(24)14-19)25-17-32-34-18-21(16-31-27(25)34)20-3-5-22(6-4-20)33-12-10-29-11-13-33/h2-9,14,16-18,28-29H,10-13,15H2,1H3
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n/an/a 2.59E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 2.91E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM148329
PNG
(US9682983, 19)
Show SMILES CN(C)Cc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C28H29N7/c1-33(2)18-20-3-8-25-24(9-10-30-27(25)15-20)26-17-32-35-19-22(16-31-28(26)35)21-4-6-23(7-5-21)34-13-11-29-12-14-34/h3-10,15-17,19,29H,11-14,18H2,1-2H3
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n/an/a 2.97E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM148347
PNG
(US9682983, 21)
Show SMILES C(N1CCCC1)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C30H31N7/c1-2-14-35(13-1)20-22-3-8-27-26(9-10-32-29(27)17-22)28-19-34-37-21-24(18-33-30(28)37)23-4-6-25(7-5-23)36-15-11-31-12-16-36/h3-10,17-19,21,31H,1-2,11-16,20H2
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n/an/a 3.51E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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
UniProtKB/SwissProt

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n/an/a 3.74E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 3.92E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM161915
PNG
(US9682983, 47 | US9682983, 49)
Show SMILES C(CN1CCCCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C27H26N6O/c1-2-12-32(13-3-1)14-15-34-21-9-10-25(29-17-21)20-16-30-27-24(18-31-33(27)19-20)22-6-4-8-26-23(22)7-5-11-28-26/h4-11,16-19H,1-3,12-15H2
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n/an/a 4.08E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 4.18E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM161925
PNG
(US9682983, 57)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C29H30N6O/c1-29(2,20-34-14-4-3-5-15-34)36-22-11-12-26(31-17-22)21-16-32-28-25(18-33-35(28)19-21)23-8-6-10-27-24(23)9-7-13-30-27/h6-13,16-19H,3-5,14-15,20H2,1-2H3
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n/an/a 4.48E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM161910
PNG
(US9682983, 42)
Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-24(22)5-1)23-17-31-33-18-20(16-30-26(23)33)19-6-7-25(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 5.00E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
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 5.21E+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
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