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Compile Data Set for Download or QSAR

Found 609 hits with Last Name = 'mckew' and Initial = 'jc'   
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
Serine/threonine-protein kinase receptor R3


(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 4n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(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 4n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(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 5.80n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50292791
PNG
(4-{3-[2-{2-[({2-[(4-Acetylpiperazin-1-yl)methyl]be...)
Show SMILES CC(=O)N1CCN(Cc2ccccc2CS(=O)(=O)NCCc2c(CCCc3ccc(cc3)C(O)=O)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C47H49ClN4O5S/c1-34(53)51-29-27-50(28-30-51)32-39-16-8-9-17-40(39)33-58(56,57)49-26-25-45-42(18-10-11-35-19-21-38(22-20-35)47(54)55)43-31-41(48)23-24-44(43)52(45)46(36-12-4-2-5-13-36)37-14-6-3-7-15-37/h2-9,12-17,19-24,31,46,49H,10-11,18,25-30,32-33H2,1H3,(H,54,55)
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n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic PLA2alpha by GLU micelle assay


J Med Chem 52: 1156-71 (2009)


Article DOI: 10.1021/jm8009876
BindingDB Entry DOI: 10.7270/Q20C4VSK
More data for this
Ligand-Target Pair
Activin receptor-like kinase 3 (ALK-3)


(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 6.5n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (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 7.70n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (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 8n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (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 8.60n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor-like kinase 3 (ALK-3)


(Homo sapiens (Human))
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 9.10n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252370
PNG
(1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(C1)C(O)=O)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C23H25F4N3O4S/c1-15-13-29(21-6-5-17(24)11-20(21)23(25,26)27)9-10-30(15)35(33,34)19-4-2-3-18(12-19)28-8-7-16(14-28)22(31)32/h2-6,11-12,15-16H,7-10,13-14H2,1H3,(H,31,32)/t15-,16?/s2
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252369
PNG
(CHEMBL479606 | Methyl 1-[3-({(2R)-4-[4-fluoro-2-(t...)
Show SMILES COC(=O)C1CCN(C1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C24H27F4N3O4S/c1-16-14-30(22-7-6-18(25)12-21(22)24(26,27)28)10-11-31(16)36(33,34)20-5-3-4-19(13-20)29-9-8-17(15-29)23(32)35-2/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3/t16-,17?/s2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252438
PNG
((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cncn1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C20H19F4N5O2S/c1-14-11-27(19-6-5-15(21)9-18(19)20(22,23)24)7-8-29(14)32(30,31)17-4-2-3-16(10-17)28-13-25-12-26-28/h2-6,9-10,12-14H,7-8,11H2,1H3/t14-/s2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50252367
PNG
(1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(O)C1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C22H25F4N3O3S/c1-15-13-28(21-6-5-16(23)11-20(21)22(24,25)26)9-10-29(15)33(31,32)19-4-2-3-17(12-19)27-8-7-18(30)14-27/h2-6,11-12,15,18,30H,7-10,13-14H2,1H3/t15-,18?/s2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50252315
PNG
((3R)-1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)ph...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CC[C@@H](O)C1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C22H25F4N3O3S/c1-15-13-28(21-6-5-16(23)11-20(21)22(24,25)26)9-10-29(15)33(31,32)19-4-2-3-17(12-19)27-8-7-18(30)14-27/h2-6,11-12,15,18,30H,7-10,13-14H2,1H3/t15-,18-/s2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252202
PNG
((2R)-1-[(3,4-dichlorophenyl)sulfonyl]-2-methyl-4-[...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C18H17Cl2F3N2O2S/c1-12-11-24(17-5-3-2-4-14(17)18(21,22)23)8-9-25(12)28(26,27)13-6-7-15(19)16(20)10-13/h2-7,10,12H,8-9,11H2,1H3/t12-/s2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50252202
PNG
((2R)-1-[(3,4-dichlorophenyl)sulfonyl]-2-methyl-4-[...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C18H17Cl2F3N2O2S/c1-12-11-24(17-5-3-2-4-14(17)18(21,22)23)8-9-25(12)28(26,27)13-6-7-15(19)16(20)10-13/h2-7,10,12H,8-9,11H2,1H3/t12-/s2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50292792
PNG
(4-(3-{5-Chloro-1-(diphenylmethyl)-2-[2-({[2-(morph...)
Show SMILES OC(=O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccccc3CN3CCOCC3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C45H46ClN3O5S/c46-39-22-23-42-41(30-39)40(17-9-10-33-18-20-36(21-19-33)45(50)51)43(49(42)44(34-11-3-1-4-12-34)35-13-5-2-6-14-35)24-25-47-55(52,53)32-38-16-8-7-15-37(38)31-48-26-28-54-29-27-48/h1-8,11-16,18-23,30,44,47H,9-10,17,24-29,31-32H2,(H,50,51)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic PLA2alpha by GLU micelle assay


J Med Chem 52: 1156-71 (2009)


Article DOI: 10.1021/jm8009876
BindingDB Entry DOI: 10.7270/Q20C4VSK
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50226793
PNG
(4-(3-(1-benzhydryl-5-chloro-2-(2-((2,6-dimethylphe...)
Show SMILES Cc1cccc(C)c1CS(=O)(=O)NCCc1c(CCCc2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H41ClN2O4S/c1-29-11-9-12-30(2)38(29)28-50(48,49)44-26-25-40-36(18-10-13-31-19-21-34(22-20-31)42(46)47)37-27-35(43)23-24-39(37)45(40)41(32-14-5-3-6-15-32)33-16-7-4-8-17-33/h3-9,11-12,14-17,19-24,27,41,44H,10,13,18,25-26,28H2,1-2H3,(H,46,47)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic PLA2alpha by GLU micelle assay


J Med Chem 52: 1156-71 (2009)


Article DOI: 10.1021/jm8009876
BindingDB Entry DOI: 10.7270/Q20C4VSK
More data for this
Ligand-Target Pair
Activin receptor type-1


(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 10n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252203
PNG
((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCCCC1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C23H27F4N3O2S/c1-17-16-29(22-9-8-18(24)14-21(22)23(25,26)27)12-13-30(17)33(31,32)20-7-5-6-19(15-20)28-10-3-2-4-11-28/h5-9,14-15,17H,2-4,10-13,16H2,1H3/t17-/s2
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252476
PNG
((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1ccnc1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C21H20F4N4O2S/c1-15-13-27(20-6-5-16(22)11-19(20)21(23,24)25)9-10-29(15)32(30,31)18-4-2-3-17(12-18)28-8-7-26-14-28/h2-8,11-12,14-15H,9-10,13H2,1H3/t15-/s2
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252313
PNG
(CHEMBL516457 | Methyl 4-[3-({(2R)-4-[4-fluoro-2-(t...)
Show SMILES COC(=O)N1CCN(CC1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C24H28F4N4O4S/c1-17-16-31(22-7-6-18(25)14-21(22)24(26,27)28)12-13-32(17)37(34,35)20-5-3-4-19(15-20)29-8-10-30(11-9-29)23(33)36-2/h3-7,14-15,17H,8-13,16H2,1-2H3/t17-/s2
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(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 11n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252243
PNG
(4-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCOCC1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C22H25F4N3O3S/c1-16-15-28(21-6-5-17(23)13-20(21)22(24,25)26)7-8-29(16)33(30,31)19-4-2-3-18(14-19)27-9-11-32-12-10-27/h2-6,13-14,16H,7-12,15H2,1H3/t16-/s2
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252436
PNG
(1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(C1)C(N)=O)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C23H26F4N4O3S/c1-15-13-30(21-6-5-17(24)11-20(21)23(25,26)27)9-10-31(15)35(33,34)19-4-2-3-18(12-19)29-8-7-16(14-29)22(28)32/h2-6,11-12,15-16H,7-10,13-14H2,1H3,(H2,28,32)/t15-,16?/s2
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252367
PNG
(1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(O)C1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C22H25F4N3O3S/c1-15-13-28(21-6-5-16(23)11-20(21)22(24,25)26)9-10-29(15)33(31,32)19-4-2-3-17(12-19)27-8-7-18(30)14-27/h2-6,11-12,15,18,30H,7-10,13-14H2,1H3/t15-,18?/s2
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse 11betaHSD1 in presence of human serum


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50252369
PNG
(CHEMBL479606 | Methyl 1-[3-({(2R)-4-[4-fluoro-2-(t...)
Show SMILES COC(=O)C1CCN(C1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C24H27F4N3O4S/c1-16-14-30(22-7-6-18(25)12-21(22)24(26,27)28)10-11-31(16)36(33,34)20-5-3-4-19(13-20)29-9-8-17(15-29)23(32)35-2/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3/t16-,17?/s2
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252477
PNG
((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cccn1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C21H20F4N4O2S/c1-15-14-27(20-7-6-16(22)12-19(20)21(23,24)25)10-11-29(15)32(30,31)18-5-2-4-17(13-18)28-9-3-8-26-28/h2-9,12-13,15H,10-11,14H2,1H3/t15-/s2
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252244
PNG
((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCN(C)CC1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C23H28F4N4O2S/c1-17-16-30(22-7-6-18(24)14-21(22)23(25,26)27)12-13-31(17)34(32,33)20-5-3-4-19(15-20)29-10-8-28(2)9-11-29/h3-7,14-15,17H,8-13,16H2,1-2H3/t17-/s2
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
Activin receptor type-1


(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 12n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252315
PNG
((3R)-1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)ph...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CC[C@@H](O)C1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C22H25F4N3O3S/c1-15-13-28(21-6-5-16(23)11-20(21)22(24,25)26)9-10-29(15)33(31,32)19-4-2-3-17(12-19)27-8-7-18(30)14-27/h2-6,11-12,15,18,30H,7-10,13-14H2,1H3/t15-,18-/s2
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252104
PNG
(CHEMBL520288 | N-ethyl-4-[3-({(2R)-4-[4-fluoro-2-(...)
Show SMILES CCNC(=O)N1CCN(CC1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C25H31F4N5O3S/c1-3-30-24(35)32-11-9-31(10-12-32)20-5-4-6-21(16-20)38(36,37)34-14-13-33(17-18(34)2)23-8-7-19(26)15-22(23)25(27,28)29/h4-8,15-16,18H,3,9-14,17H2,1-2H3,(H,30,35)/t18-/s2
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50292790
PNG
(4-(3-{5-Chloro-1-(diphenylmethyl)-2-[2-({[2-(piper...)
Show SMILES OC(=O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccccc3CN3CCNCC3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C45H47ClN4O4S/c46-39-22-23-42-41(30-39)40(17-9-10-33-18-20-36(21-19-33)45(51)52)43(50(42)44(34-11-3-1-4-12-34)35-13-5-2-6-14-35)24-25-48-55(53,54)32-38-16-8-7-15-37(38)31-49-28-26-47-27-29-49/h1-8,11-16,18-23,30,44,47-48H,9-10,17,24-29,31-32H2,(H,51,52)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic PLA2alpha by GLU micelle assay


J Med Chem 52: 1156-71 (2009)


Article DOI: 10.1021/jm8009876
BindingDB Entry DOI: 10.7270/Q20C4VSK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50252477
PNG
((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cccn1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C21H20F4N4O2S/c1-15-14-27(20-7-6-16(22)12-19(20)21(23,24)25)10-11-29(15)32(30,31)18-5-2-4-17(13-18)28-9-3-8-26-28/h2-9,12-13,15H,10-11,14H2,1H3/t15-/s2
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252367
PNG
(1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(O)C1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C22H25F4N3O3S/c1-15-13-28(21-6-5-16(23)11-20(21)22(24,25)26)9-10-29(15)33(31,32)19-4-2-3-17(12-19)27-8-7-18(30)14-27/h2-6,11-12,15,18,30H,7-10,13-14H2,1H3/t15-,18?/s2
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50252367
PNG
(1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(O)C1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C22H25F4N3O3S/c1-15-13-28(21-6-5-16(23)11-20(21)22(24,25)26)9-10-29(15)33(31,32)19-4-2-3-17(12-19)27-8-7-18(30)14-27/h2-6,11-12,15,18,30H,7-10,13-14H2,1H3/t15-,18?/s2
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252315
PNG
((3R)-1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)ph...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CC[C@@H](O)C1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C22H25F4N3O3S/c1-15-13-28(21-6-5-16(23)11-20(21)22(24,25)26)9-10-29(15)33(31,32)19-4-2-3-17(12-19)27-8-7-18(30)14-27/h2-6,11-12,15,18,30H,7-10,13-14H2,1H3/t15-,18-/s2
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse 11betaHSD1 in presence of human serum


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50252243
PNG
(4-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCOCC1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C22H25F4N3O3S/c1-16-15-28(21-6-5-17(23)13-20(21)22(24,25)26)7-8-29(16)33(30,31)19-4-2-3-18(14-19)27-9-11-32-12-10-27/h2-6,13-14,16H,7-12,15H2,1H3/t16-/s2
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252436
PNG
(1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(C1)C(N)=O)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C23H26F4N4O3S/c1-15-13-30(21-6-5-17(24)11-20(21)23(25,26)27)9-10-31(15)35(33,34)19-4-2-3-18(12-19)29-8-7-16(14-29)22(28)32/h2-6,11-12,15-16H,7-10,13-14H2,1H3,(H2,28,32)/t15-,16?/s2
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse 11betaHSD1 in presence of human serum


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
Activin receptor type-1


(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 14n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
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 15n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50252203
PNG
((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCCCC1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C23H27F4N3O2S/c1-17-16-29(22-9-8-18(24)14-21(22)23(25,26)27)12-13-30(17)33(31,32)20-7-5-6-19(15-20)28-10-3-2-4-11-28/h5-9,14-15,17H,2-4,10-13,16H2,1H3/t17-/s2
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
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/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (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 16n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50252316
PNG
((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCCC1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1/C22H25F4N3O2S/c1-16-15-28(21-8-7-17(23)13-20(21)22(24,25)26)11-12-29(16)32(30,31)19-6-4-5-18(14-19)27-9-2-3-10-27/h4-8,13-14,16H,2-3,9-12,15H2,1H3/t16-/s2
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay


J Med Chem 51: 4068-71 (2008)


Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM161914
PNG
(US9682983, 46)
Show SMILES Clc1cc(ccc1OCCN1CCCCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C28H26ClN5O/c29-25-16-20(9-10-27(25)35-15-14-33-12-2-1-3-13-33)21-17-31-28-24(18-32-34(28)19-21)22-6-4-8-26-23(22)7-5-11-30-26/h4-11,16-19H,1-3,12-15H2
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n/an/a 16n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(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 16n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(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 17n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM161912
PNG
(US9682983, 44)
Show SMILES CN1CCN(CCOc2ccc(cn2)-c2cnc3c(cnn3c2)-c2cccc3ncccc23)CC1
Show InChI InChI=1S/C27H27N7O/c1-32-10-12-33(13-11-32)14-15-35-26-8-7-20(16-29-26)21-17-30-27-24(18-31-34(27)19-21)22-4-2-6-25-23(22)5-3-9-28-25/h2-9,16-19H,10-15H2,1H3
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n/an/a 17n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
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 19n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
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