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Compile Data Set for Download or QSAR

Found 389 hits with Last Name = 'valeur' and Initial = 'e'   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29840
PNG
(spiro-carboxamide scaffold, 13)
Show SMILES O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccccc1
Show InChI InChI=1S/C19H25NO/c21-17(19(11-12-19)16-7-3-1-4-8-16)20-14-13-18(15-20)9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-15H2
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n/an/a 0.5n/an/an/an/a7.437



Merck-Serono



Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init...


Bioorg Med Chem Lett 19: 3682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251420
PNG
(US9452990, 102)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NCC1(C)COC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C29H34FN7O4/c1-29(16-41-17-29)15-33-21(19-6-4-18(14-31)5-7-19)13-23(38)36-8-10-37(11-9-36)28-34-25-20(27(32)35-28)12-22(39-2)26(40-3)24(25)30/h4-7,12,21,33H,8-11,13,15-17H2,1-3H3,(H2,32,34,35)/t21-/s2
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n/an/a 1n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251408
PNG
(US9452990, 90)
Show SMILES CCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C26H30FN7O3/c1-4-30-19(17-7-5-16(15-28)6-8-17)14-21(35)33-9-11-34(12-10-33)26-31-23-18(25(29)32-26)13-20(36-2)24(37-3)22(23)27/h5-8,13,19,30H,4,9-12,14H2,1-3H3,(H2,29,31,32)/t19-/s2
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n/an/a 1n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29839
PNG
(spiro-carboxamide scaffold, 12)
Show SMILES CC(C)(C(=O)N1CCC2(C1)CCCCC2)c1ccccc1
Show InChI InChI=1S/C19H27NO/c1-18(2,16-9-5-3-6-10-16)17(21)20-14-13-19(15-20)11-7-4-8-12-19/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3
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n/an/a 1.5n/an/an/an/a7.437



Merck-Serono



Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init...


Bioorg Med Chem Lett 19: 3682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251449
PNG
(US9452990, 131)
Show SMILES CCNC(=O)[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C26H30F2N6O4/c1-4-30-25(36)17(15-5-7-16(27)8-6-15)14-20(35)33-9-11-34(12-10-33)26-31-22-18(24(29)32-26)13-19(37-2)23(38-3)21(22)28/h5-8,13,17H,4,9-12,14H2,1-3H3,(H,30,36)(H2,29,31,32)/t17-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251413
PNG
(US9452990, 95)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NC(C)C)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C27H32FN7O3/c1-16(2)31-20(18-7-5-17(15-29)6-8-18)14-22(36)34-9-11-35(12-10-34)27-32-24-19(26(30)33-27)13-21(37-3)25(38-4)23(24)28/h5-8,13,16,20,31H,9-12,14H2,1-4H3,(H2,30,32,33)/t20-/s2
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n/an/a 3n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29834
PNG
(spiro-carboxamide scaffold, 7)
Show SMILES Fc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCCC2
Show InChI InChI=1S/C19H24FNO/c20-16-6-4-15(5-7-16)19(10-11-19)17(22)21-13-12-18(14-21)8-2-1-3-9-18/h4-7H,1-3,8-14H2
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Merck-Serono



Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init...


Bioorg Med Chem Lett 19: 3682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50390701
PNG
(CHEMBL2070229)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(C1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H20ClN3O/c22-16-5-3-15(4-6-16)21(8-9-21)20(26)25-11-7-14(13-25)18-12-24-19-17(18)2-1-10-23-19/h1-6,10,12,14H,7-9,11,13H2,(H,23,24)
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n/an/a 4n/an/an/an/an/an/a



Merck-Serono S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...


Bioorg Med Chem Lett 22: 5909-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251397
PNG
(US9452990, 77)
Show SMILES CN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C25H28FN7O3/c1-29-18(16-6-4-15(14-27)5-7-16)13-20(34)32-8-10-33(11-9-32)25-30-22-17(24(28)31-25)12-19(35-2)23(36-3)21(22)26/h4-7,12,18,29H,8-11,13H2,1-3H3,(H2,28,30,31)/t18-/s2
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n/an/a 4n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251411
PNG
(US9452990, 93)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NCC1CC1)c1ccsc1 |r|
Show InChI InChI=1/C25H31FN6O3S/c1-34-19-11-17-22(21(26)23(19)35-2)29-25(30-24(17)27)32-8-6-31(7-9-32)20(33)12-18(16-5-10-36-14-16)28-13-15-3-4-15/h5,10-11,14-15,18,28H,3-4,6-9,12-13H2,1-2H3,(H2,27,29,30)/t18-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251348
PNG
(US9452990, 28)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc2cc(ccc2[nH]1)C#N |r|
Show InChI InChI=1/C30H26FN7O3/c1-40-24-14-20-26(25(31)27(24)41-2)35-30(36-28(20)33)38-11-10-37(16-23(38)18-6-4-3-5-7-18)29(39)22-13-19-12-17(15-32)8-9-21(19)34-22/h3-9,12-14,23,34H,10-11,16H2,1-2H3,(H2,33,35,36)/t23-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50390710
PNG
(CHEMBL2070319)
Show SMILES Cc1[nH]c2ncccc2c1C1CCN(C1)C(=O)C1(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C22H22FN3O/c1-14-19(18-3-2-11-24-20(18)25-14)15-8-12-26(13-15)21(27)22(9-10-22)16-4-6-17(23)7-5-16/h2-7,11,15H,8-10,12-13H2,1H3,(H,24,25)
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Merck-Serono S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...


Bioorg Med Chem Lett 22: 5909-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251345
PNG
(US9452990, 25)
Show SMILES CC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)c1cc2cc(ccc2[nH]1)C#N |r|
Show InChI InChI=1/C26H26FN7O3/c1-4-16-13-33(25(35)19-10-15-9-14(12-28)5-6-18(15)30-19)7-8-34(16)26-31-22-17(24(29)32-26)11-20(36-2)23(37-3)21(22)27/h5-6,9-11,16,30H,4,7-8,13H2,1-3H3,(H2,29,31,32)/t16-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251330
PNG
(US9452990, 10)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1c1ccccc1)C(=O)\C=C\c1ccc(cc1)C#N |r|
Show InChI InChI=1/C30H27FN6O3/c1-39-24-16-22-27(26(31)28(24)40-2)34-30(35-29(22)33)37-15-14-36(18-23(37)21-6-4-3-5-7-21)25(38)13-12-19-8-10-20(17-32)11-9-19/h3-13,16,23H,14-15,18H2,1-2H3,(H2,33,34,35)/b13-12+/t23-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29833
PNG
(spiro-carboxamide scaffold, 6)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCCC2
Show InChI InChI=1S/C19H24ClNO/c20-16-6-4-15(5-7-16)19(10-11-19)17(22)21-13-12-18(14-21)8-2-1-3-9-18/h4-7H,1-3,8-14H2
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Merck-Serono



Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init...


Bioorg Med Chem Lett 19: 3682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251417
PNG
(US9452990, 99)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](N1CCCCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C28H34F2N6O3/c1-38-22-16-20-25(24(30)26(22)39-2)32-28(33-27(20)31)36-14-12-35(13-15-36)23(37)17-21(34-10-4-3-5-11-34)18-6-8-19(29)9-7-18/h6-9,16,21H,3-5,10-15,17H2,1-2H3,(H2,31,32,33)/t21-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251416
PNG
(US9452990, 98)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NCCF)c1ccc(F)cc1 |r|
Show InChI InChI=1/C25H29F3N6O3/c1-36-19-13-17-22(21(28)23(19)37-2)31-25(32-24(17)29)34-11-9-33(10-12-34)20(35)14-18(30-8-7-26)15-3-5-16(27)6-4-15/h3-6,13,18,30H,7-12,14H2,1-2H3,(H2,29,31,32)/t18-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251412
PNG
(US9452990, 94)
Show SMILES COCCCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C27H34F2N6O4/c1-37-14-4-9-31-20(17-5-7-18(28)8-6-17)16-22(36)34-10-12-35(13-11-34)27-32-24-19(26(30)33-27)15-21(38-2)25(39-3)23(24)29/h5-8,15,20,31H,4,9-14,16H2,1-3H3,(H2,30,32,33)/t20-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251402
PNG
(US9452990, 84)
Show SMILES CCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C25H30F2N6O3/c1-4-29-18(15-5-7-16(26)8-6-15)14-20(34)32-9-11-33(12-10-32)25-30-22-17(24(28)31-25)13-19(35-2)23(36-3)21(22)27/h5-8,13,18,29H,4,9-12,14H2,1-3H3,(H2,28,30,31)/t18-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251451
PNG
(US9452990, 80)
Show SMILES CN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C24H28F2N6O3/c1-28-17(14-4-6-15(25)7-5-14)13-19(33)31-8-10-32(11-9-31)24-29-21-16(23(27)30-24)12-18(34-2)22(35-3)20(21)26/h4-7,12,17,28H,8-11,13H2,1-3H3,(H2,27,29,30)/t17-/s2
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n/an/a 6n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50390703
PNG
(CHEMBL2070231)
Show SMILES Clc1ccc(cc1)C1(CCC1)C(=O)N1CCC(C1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C22H22ClN3O/c23-17-6-4-16(5-7-17)22(9-2-10-22)21(27)26-12-8-15(14-26)19-13-25-20-18(19)3-1-11-24-20/h1,3-7,11,13,15H,2,8-10,12,14H2,(H,24,25)
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n/an/a 7n/an/an/an/an/an/a



Merck-Serono S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...


Bioorg Med Chem Lett 22: 5909-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251389
PNG
(US9452990, 69)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1c1ccccc1)C(=O)C[C@@H](N)c1ccc(F)cc1 |r|
Show InChI InChI=1/C29H30F2N6O3/c1-39-23-14-20-26(25(31)27(23)40-2)34-29(35-28(20)33)37-13-12-36(16-22(37)18-6-4-3-5-7-18)24(38)15-21(32)17-8-10-19(30)11-9-17/h3-11,14,21-22H,12-13,15-16,32H2,1-2H3,(H2,33,34,35)/t21-,22-/s2
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n/an/a 7n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251384
PNG
(US9452990, 64)
Show SMILES CC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)C[C@@H](N)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C26H30FN7O3/c1-4-17-14-33(21(35)12-19(29)16-7-5-15(13-28)6-8-16)9-10-34(17)26-31-23-18(25(30)32-26)11-20(36-2)24(37-3)22(23)27/h5-8,11,17,19H,4,9-10,12,14,29H2,1-3H3,(H2,30,31,32)/t17-,19+/s2
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n/an/a 7n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50294781
PNG
(CHEMBL552159 | N-Adamantan-2-yl-4-(3-isopropyl-[1,...)
Show SMILES CC(C)c1noc(CC(C)(C)CC(=O)NC2C3CC4CC(C3)CC2C4)n1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(7.3,-4.75,;6.54,-3.41,;7.31,-2.08,;5,-3.41,;4.31,-4.78,;2.79,-4.55,;2.53,-3.04,;1.19,-2.27,;-.14,-3.05,;-1.24,-4.13,;.95,-4.13,;-1.47,-2.28,;-2.81,-3.05,;-2.8,-4.59,;-4.14,-2.29,;-5.42,-3.14,;-5.43,-4.67,;-6.83,-5.02,;-8.16,-4.53,;-9.35,-5.81,;-7.85,-5.39,;-6.45,-5.95,;-7.86,-3.8,;-6.82,-2.57,;-8.17,-3.04,;3.9,-2.33,)|
Show InChI InChI=1S/C21H33N3O2/c1-12(2)20-23-18(26-24-20)11-21(3,4)10-17(25)22-19-15-6-13-5-14(8-15)9-16(19)7-13/h12-16,19H,5-11H2,1-4H3,(H,22,25)
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n/an/a 8n/an/an/an/an/an/a



Merck-Serono

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay


Bioorg Med Chem Lett 19: 2674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50294783
PNG
(3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...)
Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)|
Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21-
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Merck-Serono

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay


Bioorg Med Chem Lett 19: 2674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50294764
PNG
(3,3-Dimethyl-pentanedioic acid cyclopropylamide(5-...)
Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:14:15:23:18.20.19,13:14:23.21.24:16,THB:20:21:16:18.19.14,20:19:23.21.24:16,14:19:23:24.15.16,(21.22,-10.83,;22.32,-9.75,;23.4,-10.83,;23.66,-8.98,;24.99,-9.76,;24.98,-11.3,;26.32,-9,;27.65,-9.77,;28.42,-11.11,;29.2,-9.78,;20.99,-8.97,;19.65,-9.74,;19.64,-11.28,;18.32,-8.96,;17.05,-9.83,;17.07,-11.34,;16.13,-12.42,;14.75,-11.86,;14.79,-10.45,;15.63,-9.28,;14.07,-9.75,;14.06,-11.26,;12.52,-11.25,;13.12,-12.5,;15.54,-11.85,)|
Show InChI InChI=1S/C20H32N2O3/c1-19(2,10-16(23)21-15-3-4-15)11-17(24)22-18-13-5-12-6-14(18)9-20(25,7-12)8-13/h12-15,18,25H,3-11H2,1-2H3,(H,21,23)(H,22,24)/t12?,13?,14?,18-,20-
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Merck-Serono

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay


Bioorg Med Chem Lett 19: 2674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251410
PNG
(US9452990, 92)
Show SMILES CCCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(Cl)s1 |r|
Show InChI InChI=1/C24H30ClFN6O3S/c1-4-7-28-15(17-5-6-18(25)36-17)13-19(33)31-8-10-32(11-9-31)24-29-21-14(23(27)30-24)12-16(34-2)22(35-3)20(21)26/h5-6,12,15,28H,4,7-11,13H2,1-3H3,(H2,27,29,30)/t15-/s2
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n/an/a 8n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50294771
PNG
(CHEMBL549419 | N-Adamantan-2-yl-2-[1-(isobutylcarb...)
Show SMILES CC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:13:14:17:20.21.22,13:21:17:15.19.14,12:13:17.18.20:22,(8.27,-20.54,;6.93,-19.77,;6.93,-18.23,;5.6,-20.54,;4.27,-19.78,;2.93,-20.55,;2.94,-22.09,;1.6,-19.78,;.27,-20.55,;-1.07,-19.79,;-2.4,-20.56,;-2.4,-22.1,;-3.74,-19.8,;-5.02,-20.65,;-5.03,-22.18,;-6.43,-22.53,;-7.75,-22.04,;-8.95,-23.32,;-7.45,-22.9,;-6.04,-23.46,;-7.45,-21.31,;-6.42,-20.08,;-7.76,-20.55,;-.97,-21.47,;-.48,-22.93,;1.06,-22.92,;1.52,-21.45,)|
Show InChI InChI=1S/C23H38N2O2/c1-15(2)14-24-20(26)12-23(5-3-4-6-23)13-21(27)25-22-18-8-16-7-17(10-18)11-19(22)9-16/h15-19,22H,3-14H2,1-2H3,(H,24,26)(H,25,27)
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n/an/a 9n/an/an/an/an/an/a



Merck-Serono

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay


Bioorg Med Chem Lett 19: 2674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251378
PNG
(US9452990, 58)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1C)C(=O)C[C@@H](N)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C25H28FN7O3/c1-14-13-32(20(34)11-18(28)16-6-4-15(12-27)5-7-16)8-9-33(14)25-30-22-17(24(29)31-25)10-19(35-2)23(36-3)21(22)26/h4-7,10,14,18H,8-9,11,13,28H2,1-3H3,(H2,29,30,31)/t14-,18+/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50294767
PNG
(CHEMBL562113 | N-Adamantan-2-yl-2-{1-[(2-methoxy-p...)
Show SMILES COc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(6.77,1.1,;5.44,.32,;5.45,-1.22,;6.78,-1.98,;6.79,-3.53,;5.45,-4.3,;4.12,-3.53,;4.12,-1.98,;2.79,-1.22,;1.46,-1.99,;1.46,-3.53,;.12,-1.22,;-1.21,-2,;-2.55,-1.23,;-3.88,-2,;-3.88,-3.54,;-5.22,-1.24,;-6.5,-2.09,;-6.51,-3.62,;-7.9,-3.97,;-9.23,-3.48,;-10.43,-4.76,;-8.93,-4.34,;-7.52,-4.9,;-8.93,-2.75,;-7.89,-1.52,;-9.24,-1.99,;-2.45,-2.91,;-1.96,-4.37,;-.42,-4.36,;.04,-2.89,)|
Show InChI InChI=1S/C26H36N2O3/c1-31-22-7-3-2-6-21(22)27-23(29)15-26(8-4-5-9-26)16-24(30)28-25-19-11-17-10-18(13-19)14-20(25)12-17/h2-3,6-7,17-20,25H,4-5,8-16H2,1H3,(H,27,29)(H,28,30)
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Merck-Serono

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay


Bioorg Med Chem Lett 19: 2674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251414
PNG
(US9452990, 96)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](N1CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C26H30F2N6O3/c1-36-20-14-18-23(22(28)24(20)37-2)30-26(31-25(18)29)34-12-10-33(11-13-34)21(35)15-19(32-8-3-9-32)16-4-6-17(27)7-5-16/h4-7,14,19H,3,8-13,15H2,1-2H3,(H2,29,30,31)/t19-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251448
PNG
(US9452990, 130)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](C(N)=O)c1ccc(F)cc1 |r|
Show InChI InChI=1/C24H26F2N6O4/c1-35-17-11-16-20(19(26)21(17)36-2)29-24(30-22(16)27)32-9-7-31(8-10-32)18(33)12-15(23(28)34)13-3-5-14(25)6-4-13/h3-6,11,15H,7-10,12H2,1-2H3,(H2,28,34)(H2,27,29,30)/t15-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251387
PNG
(US9452990, 67)
Show SMILES CCC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)C[C@@H](N)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C27H32FN7O3/c1-4-5-18-15-34(22(36)13-20(30)17-8-6-16(14-29)7-9-17)10-11-35(18)27-32-24-19(26(31)33-27)12-21(37-2)25(38-3)23(24)28/h6-9,12,18,20H,4-5,10-11,13,15,30H2,1-3H3,(H2,31,32,33)/t18-,20+/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50390702
PNG
(CHEMBL2070230)
Show SMILES CC(C)(C(=O)N1CCC(C1)c1c[nH]c2ncccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3O/c1-21(2,15-5-7-16(22)8-6-15)20(26)25-11-9-14(13-25)18-12-24-19-17(18)4-3-10-23-19/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,23,24)
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Merck-Serono S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...


Bioorg Med Chem Lett 22: 5909-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251364
PNG
(US9452990, 44)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](N)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C24H26FN7O3/c1-34-18-11-16-21(20(25)22(18)35-2)29-24(30-23(16)28)32-9-7-31(8-10-32)19(33)12-17(27)15-5-3-14(13-26)4-6-15/h3-6,11,17H,7-10,12,27H2,1-2H3,(H2,28,29,30)/t17-/s2
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n/an/a 10n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50294783
PNG
(3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...)
Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)|
Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21-
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n/an/a 10n/an/an/an/an/an/a



Merck-Serono

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in mouse liver microsome


Bioorg Med Chem Lett 19: 2674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251415
PNG
(US9452990, 97)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1[C@@H](C)CN(C[C@H]1C)C(=O)C[C@@H](NC(C)C)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C29H36FN7O3/c1-16(2)33-22(20-9-7-19(13-31)8-10-20)12-24(38)36-14-17(3)37(18(4)15-36)29-34-26-21(28(32)35-29)11-23(39-5)27(40-6)25(26)30/h7-11,16-18,22,33H,12,14-15H2,1-6H3,(H2,32,34,35)/t17-,18+,22-/s2
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n/an/a 11n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251346
PNG
(US9452990, 26)
Show SMILES CCC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)c1cc2cc(ccc2[nH]1)C#N |r|
Show InChI InChI=1/C27H28FN7O3/c1-4-5-17-14-34(26(36)20-11-16-10-15(13-29)6-7-19(16)31-20)8-9-35(17)27-32-23-18(25(30)33-27)12-21(37-2)24(38-3)22(23)28/h6-7,10-12,17,31H,4-5,8-9,14H2,1-3H3,(H2,30,32,33)/t17-/s2
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n/an/a 11n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251328
PNG
(US9452990, 8)
Show SMILES CC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)\C=C\c1ccc(cc1)C#N |r|
Show InChI InChI=1/C26H27FN6O3/c1-4-18-15-32(21(34)10-9-16-5-7-17(14-28)8-6-16)11-12-33(18)26-30-23-19(25(29)31-26)13-20(35-2)24(36-3)22(23)27/h5-10,13,18H,4,11-12,15H2,1-3H3,(H2,29,30,31)/b10-9+/t18-/s2
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n/an/a 11n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50294780
PNG
(CHEMBL560849 | N-Adamantan-2-yl-4-(3-cyclopropyl-[...)
Show SMILES CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)C1CC1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(19.12,3.89,;20.22,4.97,;21.3,3.89,;18.88,5.74,;17.55,4.96,;17.55,3.42,;16.21,5.73,;14.93,4.88,;14.92,3.35,;13.52,3,;12.2,3.49,;11,2.21,;12.5,2.63,;13.91,2.07,;12.5,4.22,;13.54,5.45,;12.19,4.98,;21.55,5.75,;22.88,4.98,;24.26,5.69,;25.35,4.61,;24.67,3.24,;23.14,3.46,;26.89,4.61,;28.22,3.83,;28.22,5.37,)|
Show InChI InChI=1S/C21H31N3O2/c1-21(2,11-18-23-20(24-26-18)14-3-4-14)10-17(25)22-19-15-6-12-5-13(8-15)9-16(19)7-12/h12-16,19H,3-11H2,1-2H3,(H,22,25)
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n/an/a 12n/an/an/an/an/an/a



Merck-Serono

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay


Bioorg Med Chem Lett 19: 2674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251409
PNG
(US9452990, 91)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NC(C)C)c1ccc(F)c(c1)C#N |r|
Show InChI InChI=1/C27H31F2N7O3/c1-15(2)32-20(16-5-6-19(28)17(11-16)14-30)13-22(37)35-7-9-36(10-8-35)27-33-24-18(26(31)34-27)12-21(38-3)25(39-4)23(24)29/h5-6,11-12,15,20,32H,7-10,13H2,1-4H3,(H2,31,33,34)/t20-/s2
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n/an/a 12n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50390709
PNG
(CHEMBL2070318)
Show SMILES Cc1[nH]c2ncccc2c1C1CCN(C1)C(=O)C(C)(C)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN3O/c1-14-19(18-5-4-11-24-20(18)25-14)15-10-12-26(13-15)21(27)22(2,3)16-6-8-17(23)9-7-16/h4-9,11,15H,10,12-13H2,1-3H3,(H,24,25)
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Merck-Serono S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...


Bioorg Med Chem Lett 22: 5909-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251419
PNG
(US9452990, 101)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NC(C)C)c1ccc(F)cn1 |r|
Show InChI InChI=1/C25H31F2N7O3/c1-14(2)30-18(17-6-5-15(26)13-29-17)12-20(35)33-7-9-34(10-8-33)25-31-22-16(24(28)32-25)11-19(36-3)23(37-4)21(22)27/h5-6,11,13-14,18,30H,7-10,12H2,1-4H3,(H2,28,31,32)/t18-/s2
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n/an/a 13n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251349
PNG
(US9452990, 29)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc2cc(F)ccc2[nH]1 |r|
Show InChI InChI=1/C29H26F2N6O3/c1-39-23-14-19-25(24(31)26(23)40-2)34-29(35-27(19)32)37-11-10-36(15-22(37)16-6-4-3-5-7-16)28(38)21-13-17-12-18(30)8-9-20(17)33-21/h3-9,12-14,22,33H,10-11,15H2,1-2H3,(H2,32,34,35)/t22-/s2
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n/an/a 14n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251343
PNG
(US9452990, 23)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1C)C(=O)c1cc2cc(ccc2[nH]1)C#N |r|
Show InChI InChI=1/C25H24FN7O3/c1-13-12-32(24(34)18-9-15-8-14(11-27)4-5-17(15)29-18)6-7-33(13)25-30-21-16(23(28)31-25)10-19(35-2)22(36-3)20(21)26/h4-5,8-10,13,29H,6-7,12H2,1-3H3,(H2,28,30,31)/t13-/s2
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n/an/a 15n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251421
PNG
(US9452990, 103)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](N1CCCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C27H32F2N6O3/c1-37-21-15-19-24(23(29)25(21)38-2)31-27(32-26(19)30)35-13-11-34(12-14-35)22(36)16-20(33-9-3-4-10-33)17-5-7-18(28)8-6-17/h5-8,15,20H,3-4,9-14,16H2,1-2H3,(H2,30,31,32)/t20-/s2
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n/an/a 15n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251322
PNG
(US9452990, 2)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23FN6O3/c1-33-18-13-17-21(20(25)22(18)34-2)28-24(29-23(17)27)31-11-9-30(10-12-31)19(32)8-7-15-3-5-16(14-26)6-4-15/h3-8,13H,9-12H2,1-2H3,(H2,27,28,29)/b8-7+
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n/an/a 16n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50294770
PNG
(CHEMBL560250 | N-Adamantan-2-yl-2-(1-{[(pyridin-2-...)
Show SMILES O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccn1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(23,-13.1,;23,-11.56,;21.66,-10.79,;20.33,-11.56,;18.99,-10.8,;17.66,-11.57,;17.66,-13.11,;16.32,-10.81,;15.04,-11.66,;15.03,-13.19,;13.64,-13.53,;12.31,-13.05,;11.11,-14.33,;12.61,-13.91,;14.02,-14.47,;12.61,-12.32,;13.65,-11.09,;12.3,-11.56,;19.09,-12.48,;19.58,-13.94,;21.12,-13.93,;21.58,-12.46,;24.33,-10.79,;25.66,-11.55,;27,-10.78,;28.32,-11.55,;29.65,-10.78,;29.65,-9.24,;28.31,-8.47,;26.98,-9.25,)|
Show InChI InChI=1S/C25H35N3O2/c29-22(27-16-21-5-1-4-8-26-21)14-25(6-2-3-7-25)15-23(30)28-24-19-10-17-9-18(12-19)13-20(24)11-17/h1,4-5,8,17-20,24H,2-3,6-7,9-16H2,(H,27,29)(H,28,30)
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Merck-Serono

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay


Bioorg Med Chem Lett 19: 2674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50294765
PNG
(CHEMBL551306 | N-Adamantan-2-yl-2-{1-[(4-fluoro-ph...)
Show SMILES Fc1ccc(NC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(8.39,2.65,;7.05,3.42,;5.72,2.65,;4.39,3.41,;4.39,4.96,;3.05,5.73,;1.72,4.96,;1.72,3.42,;.38,5.72,;-.95,4.95,;-2.28,5.72,;-3.61,4.94,;-3.61,3.4,;-4.95,5.71,;-6.23,4.85,;-6.24,3.33,;-7.64,2.98,;-8.97,3.46,;-10.16,2.19,;-8.66,2.61,;-7.26,2.05,;-8.67,4.2,;-7.63,5.43,;-8.98,4.95,;-2.19,4.03,;-1.7,2.57,;-.16,2.59,;.31,4.06,;5.71,5.73,;7.04,4.97,)|
Show InChI InChI=1S/C25H33FN2O2/c26-20-3-5-21(6-4-20)27-22(29)14-25(7-1-2-8-25)15-23(30)28-24-18-10-16-9-17(12-18)13-19(24)11-16/h3-6,16-19,24H,1-2,7-15H2,(H,27,29)(H,28,30)
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Merck-Serono

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay


Bioorg Med Chem Lett 19: 2674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251342
PNG
(US9452990, 22)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)c1cc2cc(F)cc(F)c2[nH]1
Show InChI InChI=1S/C23H21F3N6O3/c1-34-16-10-13-19(17(26)20(16)35-2)29-23(30-21(13)27)32-5-3-31(4-6-32)22(33)15-8-11-7-12(24)9-14(25)18(11)28-15/h7-10,28H,3-6H2,1-2H3,(H2,27,29,30)
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
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Ligand-Target Pair
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