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Patent code US10377717

Compile Data Set for Download or QSAR
Found 104 hits of Enzyme Inhibition Constant Data   
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
Bile acid receptor


(Homo sapiens (Human))
BDBM408883
PNG
(Ethyl 8-(N-((4'-(dimethylamino)-[1,1'- biphenyl]-4...)
Show SMILES CCOC(=O)c1cnc2c(cccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C34H37N3O3/c1-4-40-34(39)29-21-28-11-8-12-31(32(28)35-22-29)37(33(38)27-9-6-5-7-10-27)23-24-13-15-25(16-14-24)26-17-19-30(20-18-26)36(2)3/h8,11-22,27H,4-7,9-10,23H2,1-3H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408890
PNG
(Ethyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl]...)
Show SMILES CCOC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C1CCCCC1
Show InChI InChI=1S/C34H36N2O4/c1-4-40-34(38)29-14-16-30-28(21-29)18-19-35-32(30)36(33(37)26-8-6-5-7-9-26)22-24-10-12-25(13-11-24)27-15-17-31(39-3)23(2)20-27/h10-21,26H,4-9,22H2,1-3H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408895
PNG
(Methyl 1-(N-((2-cyano-4'-methoxy-3'- methyl- [1,1'...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(-c2ccc(OC)c(C)c2)c(c1)C#N)C(=O)CC(C)(C)C
Show InChI InChI=1S/C33H33N3O4/c1-21-15-23(9-12-29(21)39-5)27-10-7-22(16-26(27)19-34)20-36(30(37)18-33(2,3)4)31-28-11-8-25(32(38)40-6)17-24(28)13-14-35-31/h7-17H,18,20H2,1-6H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408905
PNG
(Methyl 1-(N-(4-(5-chloro-6- methoxypyridin-3- yl)b...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1cnc(OC)c(Cl)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C30H30ClN3O4/c1-30(2,3)16-26(35)34(27-24-11-10-22(29(36)38-5)14-21(24)12-13-32-27)18-19-6-8-20(9-7-19)23-15-25(31)28(37-4)33-17-23/h6-15,17H,16,18H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408911
PNG
(Methyl 1-(N-((3'-chloro-4'-(trifluoromethoxy)- [1,...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC(F)(F)F)c(Cl)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H28ClF3N2O4/c1-30(2,3)17-27(38)37(28-24-11-9-23(29(39)40-4)15-22(24)13-14-36-28)18-19-5-7-20(8-6-19)21-10-12-26(25(32)16-21)41-31(33,34)35/h5-16H,17-18H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408928
PNG
(Methyl 1-(N-((4'-(methoxymethyl)-[1,1'- biphenyl]-...)
Show SMILES COCc1ccc(cc1)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC)cc1
Show InChI InChI=1S/C32H34N2O4/c1-32(2,3)19-29(35)34(30-28-15-14-27(31(36)38-5)18-26(28)16-17-33-30)20-22-6-10-24(11-7-22)25-12-8-23(9-13-25)21-37-4/h6-18H,19-21H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408929
PNG
(Methyl 1-(N-((4'-(2-methoxyethoxy)-[1,1'- biphenyl...)
Show SMILES COCCOc1ccc(cc1)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC)cc1
Show InChI InChI=1S/C33H36N2O5/c1-33(2,3)21-30(36)35(31-29-15-12-27(32(37)39-5)20-26(29)16-17-34-31)22-23-6-8-24(9-7-23)25-10-13-28(14-11-25)40-19-18-38-4/h6-17,20H,18-19,21-22H2,1-5H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408939
PNG
(Isopropyl 1-(N-((3'-cyano-4'-methoxy-[1,1'- biphen...)
Show SMILES COc1ccc(cc1C#N)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C34H35N3O4/c1-22(2)41-33(39)27-11-13-29-26(18-27)15-16-36-32(29)37(31(38)19-34(3,4)5)21-23-7-9-24(10-8-23)25-12-14-30(40-6)28(17-25)20-35/h7-18,22H,19,21H2,1-6H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408956
PNG
(Methyl 1-(4-hydroxy-N-((4'- methoxy-3'-methyl- [1,...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCCO
Show InChI InChI=1S/C30H30N2O5/c1-20-17-23(11-13-27(20)36-2)22-8-6-21(7-9-22)19-32(28(34)5-4-16-33)29-26-12-10-25(30(35)37-3)18-24(26)14-15-31-29/h6-15,17-18,33H,4-5,16,19H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408959
PNG
(Isopropyl 1-(N-((trans-4-(4-methoxy-3- methylpheny...)
Show SMILES CCC(C)(C)CC(=O)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)c1nccc2cc(ccc12)C(=O)OC(C)C
Show InChI InChI=1S/C35H46N2O4/c1-8-35(5,6)21-32(38)37(22-25-9-11-26(12-10-25)27-14-16-31(40-7)24(4)19-27)33-30-15-13-29(34(39)41-23(2)3)20-28(30)17-18-36-33/h13-20,23,25-26H,8-12,21-22H2,1-7H3/t25-,26-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408974
PNG
((E)-3-(1-(N-((4′-Methoxy-3′-methyl-[1,...)
Show SMILES COc1ccc(cc1C)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(\C=C\C(O)=O)ccc23)cc1
Show InChI InChI=1S/C33H34N2O4/c1-22-18-26(12-14-29(22)39-5)25-10-6-24(7-11-25)21-35(30(36)20-33(2,3)4)32-28-13-8-23(9-15-31(37)38)19-27(28)16-17-34-32/h6-19H,20-21H2,1-5H3,(H,37,38)/b15-9+
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408880
PNG
(Methyl 4-(N-((4'-(dimethylamino)-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1cc2c(cccc2[nH]1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C32H35N3O3/c1-34(2)26-18-16-24(17-19-26)23-14-12-22(13-15-23)21-35(31(36)25-8-5-4-6-9-25)30-11-7-10-28-27(30)20-29(33-28)32(37)38-3/h7,10-20,25,33H,4-6,8-9,21H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408887
PNG
((E)-Methyl 3-(2-(N-((trans-4-(4-methoxy-3-methylph...)
Show SMILES COC(=O)\C=C\c1ccnc(c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)C(=O)C1CCCCC1
Show InChI InChI=1S/C31H40N2O4/c1-22-19-27(14-15-28(22)36-2)25-12-9-24(10-13-25)21-33(31(35)26-7-5-4-6-8-26)29-20-23(17-18-32-29)11-16-30(34)37-3/h11,14-20,24-26H,4-10,12-13,21H2,1-3H3/b16-11+/t24-,25-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408893
PNG
(Methyl 1-(N-((3'-cyano-4'-methoxy-[1,1'- biphenyl]...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(c1)C#N)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H31N3O4/c1-32(2,3)18-29(36)35(30-27-12-10-25(31(37)39-5)17-24(27)14-15-34-30)20-21-6-8-22(9-7-21)23-11-13-28(38-4)26(16-23)19-33/h6-17H,18,20H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408898
PNG
(Methyl 1-(N- ((2',3'-difluoro-4'-methoxy- [1,1'-bi...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(F)c1F)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H30F2N2O4/c1-31(2,3)17-26(36)35(29-24-11-10-22(30(37)39-5)16-21(24)14-15-34-29)18-19-6-8-20(9-7-19)23-12-13-25(38-4)28(33)27(23)32/h6-16H,17-18H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408912
PNG
(Methyl 1-(N-((4'-cyano-3'-methyl-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(C#N)c(C)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H31N3O3/c1-21-16-24(10-11-27(21)19-33)23-8-6-22(7-9-23)20-35(29(36)18-32(2,3)4)30-28-13-12-26(31(37)38-5)17-25(28)14-15-34-30/h6-17H,18,20H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408915
PNG
(Methyl 1-(N-((4'-methoxy-[1,1'-biphenyl]-4- yl)met...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H32N2O4/c1-31(2,3)19-28(34)33(29-27-15-12-25(30(35)37-5)18-24(27)16-17-32-29)20-21-6-8-22(9-7-21)23-10-13-26(36-4)14-11-23/h6-18H,19-20H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408925
PNG
(Methyl 1-(N-((3'-chloro-4'-methyl-[1,1'- biphenyl]...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(C)c(Cl)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H31ClN2O3/c1-20-6-9-23(17-27(20)32)22-10-7-21(8-11-22)19-34(28(35)18-31(2,3)4)29-26-13-12-25(30(36)37-5)16-24(26)14-15-33-29/h6-17H,18-19H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408950
PNG
(Methyl 1-(2-cyclobutyl-N-((4'-methoxy-3'- methyl-[...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC1CCC1
Show InChI InChI=1S/C32H32N2O4/c1-21-17-25(12-14-29(21)37-2)24-9-7-23(8-10-24)20-34(30(35)18-22-5-4-6-22)31-28-13-11-27(32(36)38-3)19-26(28)15-16-33-31/h7-17,19,22H,4-6,18,20H2,1-3H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408952
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)c1nccc2cc(ccc12)C(=O)OC
Show InChI InChI=1S/C31H32N2O4/c1-5-6-7-29(34)33(30-27-14-12-26(31(35)37-4)19-25(27)16-17-32-30)20-22-8-10-23(11-9-22)24-13-15-28(36-3)21(2)18-24/h8-19H,5-7,20H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408954
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC1COC1
Show InChI InChI=1S/C31H30N2O5/c1-20-14-24(9-11-28(20)36-2)23-6-4-21(5-7-23)17-33(29(34)15-22-18-38-19-22)30-27-10-8-26(31(35)37-3)16-25(27)12-13-32-30/h4-14,16,22H,15,17-19H2,1-3H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408871
PNG
((E)-Methyl 3-(6-(N-((4'-(dimethylamino)-[1,1'- bip...)
Show SMILES COC(=O)\C=C\c1cccc(n1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C31H35N3O3/c1-33(2)28-19-16-25(17-20-28)24-14-12-23(13-15-24)22-34(31(36)26-8-5-4-6-9-26)29-11-7-10-27(32-29)18-21-30(35)37-3/h7,10-21,26H,4-6,8-9,22H2,1-3H3/b21-18+
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408885
PNG
(Methyl 4-(N-((4'-(dimethylamino)-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1cc(N(Cc2ccc(cc2)-c2ccc(cc2)N(C)C)C(=O)C2CCCCC2)c2ccccc2c1
Show InChI InChI=1S/C34H36N2O3/c1-35(2)30-19-17-26(18-20-30)25-15-13-24(14-16-25)23-36(33(37)27-9-5-4-6-10-27)32-22-29(34(38)39-3)21-28-11-7-8-12-31(28)32/h7-8,11-22,27H,4-6,9-10,23H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408900
PNG
(Methyl 1-(N-((3'-chloro-4'-cyano-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(C#N)c(Cl)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H28ClN3O3/c1-31(2,3)17-28(36)35(29-26-12-11-24(30(37)38-4)15-23(26)13-14-34-29)19-20-5-7-21(8-6-20)22-9-10-25(18-33)27(32)16-22/h5-16H,17,19H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408917
PNG
(Methyl 1-(N-(4-(2,3-dihydrobenzofuran-6- yl)benzyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2CCOc2c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H32N2O4/c1-32(2,3)19-29(35)34(30-27-12-11-26(31(36)37-4)17-25(27)13-15-33-30)20-21-5-7-22(8-6-21)24-10-9-23-14-16-38-28(23)18-24/h5-13,15,17-18H,14,16,19-20H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408921
PNG
(Methyl 1-(N-(4-(1-(tert- butoxycarbonyl)indolin- 5...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2N(CCc2c1)C(=O)OC(C)(C)C)C(=O)CC(C)(C)C
Show InChI InChI=1S/C37H41N3O5/c1-36(2,3)22-32(41)40(33-30-14-12-29(34(42)44-7)21-27(30)16-18-38-33)23-24-8-10-25(11-9-24)26-13-15-31-28(20-26)17-19-39(31)35(43)45-37(4,5)6/h8-16,18,20-21H,17,19,22-23H2,1-7H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408930
PNG
(Methyl 1-(N-((4'-(2-hydroxyethoxy)-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OCCO)cc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H34N2O5/c1-32(2,3)20-29(36)34(30-28-14-11-26(31(37)38-4)19-25(28)15-16-33-30)21-22-5-7-23(8-6-22)24-9-12-27(13-10-24)39-18-17-35/h5-16,19,35H,17-18,20-21H2,1-4H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408931
PNG
(Methyl 1-(N-((4'-(2-hydroxyethyl)-[1,1'- biphenyl]...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(CCO)cc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H34N2O4/c1-32(2,3)20-29(36)34(30-28-14-13-27(31(37)38-4)19-26(28)15-17-33-30)21-23-7-11-25(12-8-23)24-9-5-22(6-10-24)16-18-35/h5-15,17,19,35H,16,18,20-21H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408941
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC(C)C
Show InChI InChI=1S/C31H32N2O4/c1-20(2)16-29(34)33(30-27-12-10-26(31(35)37-5)18-25(27)14-15-32-30)19-22-6-8-23(9-7-22)24-11-13-28(36-4)21(3)17-24/h6-15,17-18,20H,16,19H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408948
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C35H32N2O4/c1-24-21-28(15-17-32(24)40-2)27-12-9-26(10-13-27)23-37(33(38)18-11-25-7-5-4-6-8-25)34-31-16-14-30(35(39)41-3)22-29(31)19-20-36-34/h4-10,12-17,19-22H,11,18,23H2,1-3H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408953
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl...)
Show SMILES CCCC(=O)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)c1nccc2cc(ccc12)C(=O)OC
Show InChI InChI=1S/C30H30N2O4/c1-5-6-28(33)32(29-26-13-11-25(30(34)36-4)18-24(26)15-16-31-29)19-21-7-9-22(10-8-21)23-12-14-27(35-3)20(2)17-23/h7-18H,5-6,19H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408957
PNG
(Methyl 1-(5-hydroxy-N- ((4'-methoxy-3'-methyl- [1,...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCCCO
Show InChI InChI=1S/C31H32N2O5/c1-21-18-24(12-14-28(21)37-2)23-9-7-22(8-10-23)20-33(29(35)6-4-5-17-34)30-27-13-11-26(31(36)38-3)19-25(27)15-16-32-30/h7-16,18-19,34H,4-6,17,20H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408960
PNG
(Methyl 1-(3,3-dimethyl-N-((trans-4-(o- tolyl)cyclo...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccccc1C)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H38N2O3/c1-21-8-6-7-9-26(21)23-12-10-22(11-13-23)20-33(28(34)19-31(2,3)4)29-27-15-14-25(30(35)36-5)18-24(27)16-17-32-29/h6-9,14-18,22-23H,10-13,19-20H2,1-5H3/t22-,23-
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408963
PNG
(Methyl 1-(N-((trans-4-(2- methoxyphenyl) cyclohexy...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccccc1OC)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H38N2O4/c1-31(2,3)19-28(34)33(29-26-15-14-24(30(35)37-5)18-23(26)16-17-32-29)20-21-10-12-22(13-11-21)25-8-6-7-9-27(25)36-4/h6-9,14-18,21-22H,10-13,19-20H2,1-5H3/t21-,22-
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408876
PNG
((E)-Methyl 3-(2-(trans-N-(4-(6- (dimethylamino) py...)
Show SMILES COC(=O)\C=C\c1ccnc(c1)N(Cc1ccc(cc1)-c1ccc(nc1)N(C)C)C(=O)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C30H34N4O4/c1-33(2)27-14-11-25(19-32-27)23-7-4-22(5-8-23)20-34(30(37)24-9-12-26(35)13-10-24)28-18-21(16-17-31-28)6-15-29(36)38-3/h4-8,11,14-19,24,26,35H,9-10,12-13,20H2,1-3H3/b15-6+/t24-,26-
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408882
PNG
(Methyl 1-(N-((4'-(dimethylamino)-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C33H35N3O3/c1-35(2)29-16-13-25(14-17-29)24-11-9-23(10-12-24)22-36(32(37)26-7-5-4-6-8-26)31-30-18-15-28(33(38)39-3)21-27(30)19-20-34-31/h9-21,26H,4-8,22H2,1-3H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408889
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C1CCCCC1
Show InChI InChI=1S/C33H34N2O4/c1-22-19-26(14-16-30(22)38-2)24-11-9-23(10-12-24)21-35(32(36)25-7-5-4-6-8-25)31-29-15-13-28(33(37)39-3)20-27(29)17-18-34-31/h9-20,25H,4-8,21H2,1-3H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408901
PNG
(Methyl 1-(N-((4'-chloro-3'-cyano-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(Cl)c(c1)C#N)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H28ClN3O3/c1-31(2,3)17-28(36)35(29-26-11-9-24(30(37)38-4)16-23(26)13-14-34-29)19-20-5-7-21(8-6-20)22-10-12-27(32)25(15-22)18-33/h5-16H,17,19H2,1-4H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408904
PNG
(Methyl 1-(N-(4-(5-fluoro-6- methoxypyridin-3- yl)b...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1cnc(OC)c(F)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C30H30FN3O4/c1-30(2,3)16-26(35)34(27-24-11-10-22(29(36)38-5)14-21(24)12-13-32-27)18-19-6-8-20(9-7-19)23-15-25(31)28(37-4)33-17-23/h6-15,17H,16,18H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408913
PNG
(Methyl 1-(N-((4'-(hydroxymethyl)-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(CO)cc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H32N2O4/c1-31(2,3)18-28(35)33(29-27-14-13-26(30(36)37-4)17-25(27)15-16-32-29)19-21-5-9-23(10-6-21)24-11-7-22(20-34)8-12-24/h5-17,34H,18-20H2,1-4H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408914
PNG
(Methyl 1-(3,3-dimethyl-N-(4-(1-methyl-1H- indol-5-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2n(C)ccc2c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C33H33N3O3/c1-33(2,3)20-30(37)36(31-28-12-10-27(32(38)39-5)19-25(28)14-16-34-31)21-22-6-8-23(9-7-22)24-11-13-29-26(18-24)15-17-35(29)4/h6-19H,20-21H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408922
PNG
(Methyl 1-(N-((4'-ethoxy-[1,1'-biphenyl]-4- yl)meth...)
Show SMILES CCOc1ccc(cc1)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC)cc1
Show InChI InChI=1S/C32H34N2O4/c1-6-38-27-14-11-24(12-15-27)23-9-7-22(8-10-23)21-34(29(35)20-32(2,3)4)30-28-16-13-26(31(36)37-5)19-25(28)17-18-33-30/h7-19H,6,20-21H2,1-5H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408927
PNG
(Methyl 1-(N-((4'-(difluoromethoxy)-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC(F)F)cc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H30F2N2O4/c1-31(2,3)18-27(36)35(28-26-14-11-24(29(37)38-4)17-23(26)15-16-34-28)19-20-5-7-21(8-6-20)22-9-12-25(13-10-22)39-30(32)33/h5-17,30H,18-19H2,1-4H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408942
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C1CCCC1
Show InChI InChI=1S/C32H32N2O4/c1-21-18-25(13-15-29(21)37-2)23-10-8-22(9-11-23)20-34(31(35)24-6-4-5-7-24)30-28-14-12-27(32(36)38-3)19-26(28)16-17-33-30/h8-19,24H,4-7,20H2,1-3H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408944
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C33H28N2O4/c1-22-19-26(14-16-30(22)38-2)24-11-9-23(10-12-24)21-35(32(36)25-7-5-4-6-8-25)31-29-15-13-28(33(37)39-3)20-27(29)17-18-34-31/h4-20H,21H2,1-3H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408945
PNG
(Methyl 1-(2-cyclohexyl-N-((4'-methoxy-3'- methyl-[...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC1CCCCC1
Show InChI InChI=1S/C34H36N2O4/c1-23-19-27(14-16-31(23)39-2)26-11-9-25(10-12-26)22-36(32(37)20-24-7-5-4-6-8-24)33-30-15-13-29(34(38)40-3)21-28(30)17-18-35-33/h9-19,21,24H,4-8,20,22H2,1-3H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408951
PNG
(Methyl 1-(2-cyclopropyl-N-((4'-methoxy-3'- methyl-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC1CC1
Show InChI InChI=1S/C31H30N2O4/c1-20-16-24(11-13-28(20)36-2)23-8-6-22(7-9-23)19-33(29(34)17-21-4-5-21)30-27-12-10-26(31(35)37-3)18-25(27)14-15-32-30/h6-16,18,21H,4-5,17,19H2,1-3H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408958
PNG
(Isopropyl 1-(N-((trans-4-(4-methoxy-3-methylphenyl...)
Show SMILES COc1ccc(cc1C)[C@H]1CC[C@H](CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC(C)C)CC1
Show InChI InChI=1S/C34H44N2O4/c1-22(2)40-33(38)28-12-14-29-27(19-28)16-17-35-32(29)36(31(37)20-34(4,5)6)21-24-8-10-25(11-9-24)26-13-15-30(39-7)23(3)18-26/h12-19,22,24-25H,8-11,20-21H2,1-7H3/t24-,25-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408967
PNG
(Methyl 1-(N-((trans-4-(4-methoxy-3- methylphenyl) ...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H40N2O4/c1-21-17-24(12-14-28(21)37-5)23-9-7-22(8-10-23)20-34(29(35)19-32(2,3)4)30-27-13-11-26(31(36)38-6)18-25(27)15-16-33-30/h11-18,22-23H,7-10,19-20H2,1-6H3/t22-,23-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408970
PNG
(Methyl 1-(trans-4-hydroxy-N-((trans-4-(4- methoxy-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)C(=O)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C33H40N2O5/c1-21-18-25(11-15-30(21)39-2)23-6-4-22(5-7-23)20-35(32(37)24-8-12-28(36)13-9-24)31-29-14-10-27(33(38)40-3)19-26(29)16-17-34-31/h10-11,14-19,22-24,28,36H,4-9,12-13,20H2,1-3H3/t22-,23-,24-,28-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408971
PNG
(1-(N-((trans-4-(4-Methoxy-3-methylphenyl)cyclohexy...)
Show SMILES COc1ccc(cc1C)[C@H]1CC[C@H](CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(O)=O)CC1
Show InChI InChI=1S/C31H38N2O4/c1-20-16-23(11-13-27(20)37-5)22-8-6-21(7-9-22)19-33(28(34)18-31(2,3)4)29-26-12-10-25(30(35)36)17-24(26)14-15-32-29/h10-17,21-22H,6-9,18-19H2,1-5H3,(H,35,36)/t21-,22-
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408972
PNG
(1-(N-((4'-methoxy-3'- methyl-[1,1'-biphenyl]-4- yl...)
Show SMILES COc1ccc(cc1C)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C31H32N2O4/c1-20-16-23(11-13-27(20)37-5)22-8-6-21(7-9-22)19-33(28(34)18-31(2,3)4)29-26-12-10-25(30(35)36)17-24(26)14-15-32-29/h6-17H,18-19H2,1-5H3,(H,35,36)
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408873
PNG
((E)-Methyl 3-(2-(N-((4'-(dimethylamino)-[1,1'- bip...)
Show SMILES COC(=O)\C=C\c1ccnc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCOCC1
Show InChI InChI=1S/C30H33N3O4/c1-32(2)27-11-9-25(10-12-27)24-7-4-23(5-8-24)21-33(30(35)26-15-18-37-19-16-26)28-20-22(14-17-31-28)6-13-29(34)36-3/h4-14,17,20,26H,15-16,18-19,21H2,1-3H3/b13-6+
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408874
PNG
((E)-Methyl 3-(2-(N-(4-(6- (dimethylamino)pyridin-3...)
Show SMILES COC(=O)\C=C\c1ccnc(c1)N(Cc1ccc(cc1)-c1ccc(nc1)N(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C30H34N4O3/c1-33(2)27-15-14-26(20-32-27)24-12-9-23(10-13-24)21-34(30(36)25-7-5-4-6-8-25)28-19-22(17-18-31-28)11-16-29(35)37-3/h9-20,25H,4-8,21H2,1-3H3/b16-11+
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408879
PNG
(Methyl 7-(N-((4'-(dimethylamino)-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1cc2cccc(N(Cc3ccc(cc3)-c3ccc(cc3)N(C)C)C(=O)C3CCCCC3)c2[nH]1
Show InChI InChI=1S/C32H35N3O3/c1-34(2)27-18-16-24(17-19-27)23-14-12-22(13-15-23)21-35(31(36)25-8-5-4-6-9-25)29-11-7-10-26-20-28(32(37)38-3)33-30(26)29/h7,10-20,25,33H,4-6,8-9,21H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408881
PNG
(Methyl 7-(N-((4'-(dimethylamino)-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1cc2cccc(N(Cc3ccc(cc3)-c3ccc(cc3)N(C)C)C(=O)C3CCCCC3)c2s1
Show InChI InChI=1S/C32H34N2O3S/c1-33(2)27-18-16-24(17-19-27)23-14-12-22(13-15-23)21-34(31(35)25-8-5-4-6-9-25)28-11-7-10-26-20-29(32(36)37-3)38-30(26)28/h7,10-20,25H,4-6,8-9,21H2,1-3H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408884
PNG
(Methyl 7-(N-((4'-(dimethylamino)-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1ccc2ccc(cc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C34H36N2O3/c1-35(2)31-18-15-26(16-19-31)25-11-9-24(10-12-25)23-36(33(37)28-7-5-4-6-8-28)32-20-17-27-13-14-29(34(38)39-3)21-30(27)22-32/h9-22,28H,4-8,23H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408891
PNG
(Isopropyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphe...)
Show SMILES COc1ccc(cc1C)-c1ccc(CN(C(=O)C2CCCCC2)c2nccc3cc(ccc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C35H38N2O4/c1-23(2)41-35(39)30-14-16-31-29(21-30)18-19-36-33(31)37(34(38)27-8-6-5-7-9-27)22-25-10-12-26(13-11-25)28-15-17-32(40-4)24(3)20-28/h10-21,23,27H,5-9,22H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408899
PNG
(Methyl 1-(N-((3'-cyano-4'-methyl-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(C)c(c1)C#N)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H31N3O3/c1-21-6-9-24(16-27(21)19-33)23-10-7-22(8-11-23)20-35(29(36)18-32(2,3)4)30-28-13-12-26(31(37)38-5)17-25(28)14-15-34-30/h6-17H,18,20H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408924
PNG
(Methyl 1-(N-((4'-fluoro-3'-methoxy-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(F)c(OC)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H31FN2O4/c1-31(2,3)18-28(35)34(29-25-12-10-24(30(36)38-5)16-23(25)14-15-33-29)19-20-6-8-21(9-7-20)22-11-13-26(32)27(17-22)37-4/h6-17H,18-19H2,1-5H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408935
PNG
(Methyl 1-(trans-4-hydroxy-N-((4'-methoxy-3'- methy...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C33H34N2O5/c1-21-18-25(11-15-30(21)39-2)23-6-4-22(5-7-23)20-35(32(37)24-8-12-28(36)13-9-24)31-29-14-10-27(33(38)40-3)19-26(29)16-17-34-31/h4-7,10-11,14-19,24,28,36H,8-9,12-13,20H2,1-3H3/t24-,28-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408936
PNG
(Methyl 1-(trans-N- ((3'-chloro-4'-methoxy-[1,1'- b...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(Cl)c1)C(=O)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C32H31ClN2O5/c1-39-29-14-10-23(18-28(29)33)21-5-3-20(4-6-21)19-35(31(37)22-7-11-26(36)12-8-22)30-27-13-9-25(32(38)40-2)17-24(27)15-16-34-30/h3-6,9-10,13-18,22,26,36H,7-8,11-12,19H2,1-2H3/t22-,26-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408943
PNG
(Methyl 1-(2-cyclopentyl-N-((4'-methoxy-3'- methyl-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC1CCCC1
Show InChI InChI=1S/C33H34N2O4/c1-22-18-26(13-15-30(22)38-2)25-10-8-24(9-11-25)21-35(31(36)19-23-6-4-5-7-23)32-29-14-12-28(33(37)39-3)20-27(29)16-17-34-32/h8-18,20,23H,4-7,19,21H2,1-3H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408961
PNG
(Methyl 1-(3,3-dimethyl-N-((trans-4-(m- tolyl)cyclo...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1cccc(C)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H38N2O3/c1-21-7-6-8-24(17-21)23-11-9-22(10-12-23)20-33(28(34)19-31(2,3)4)29-27-14-13-26(30(35)36-5)18-25(27)15-16-32-29/h6-8,13-18,22-23H,9-12,19-20H2,1-5H3/t22-,23-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408962
PNG
(Methyl 1-(3,3-dimethyl-N-((trans-4-(p- tolyl)cyclo...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(C)cc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H38N2O3/c1-21-6-10-23(11-7-21)24-12-8-22(9-13-24)20-33(28(34)19-31(2,3)4)29-27-15-14-26(30(35)36-5)18-25(27)16-17-32-29/h6-7,10-11,14-18,22,24H,8-9,12-13,19-20H2,1-5H3/t22-,24-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408968
PNG
(Methyl 1-(N-((trans-4-(4-methoxy-3- methylphenyl) ...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)C(=O)C1CCCCC1
Show InChI InChI=1S/C33H40N2O4/c1-22-19-26(14-16-30(22)38-2)24-11-9-23(10-12-24)21-35(32(36)25-7-5-4-6-8-25)31-29-15-13-28(33(37)39-3)20-27(29)17-18-34-31/h13-20,23-25H,4-12,21H2,1-3H3/t23-,24-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408969
PNG
(Methyl 1-(N-((1-(4-methoxy-3- methylphenyl) piperi...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(CC1CCN(CC1)c1ccc(OC)c(C)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H39N3O4/c1-21-17-25(8-10-27(21)37-5)33-15-12-22(13-16-33)20-34(28(35)19-31(2,3)4)29-26-9-7-24(30(36)38-6)18-23(26)11-14-32-29/h7-11,14,17-18,22H,12-13,15-16,19-20H2,1-6H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408870
PNG
((E)-Methyl 3-(2-(N-((4′-(dimethylamino)-[1,1...)
Show SMILES COC(=O)\C=C\c1ccnc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C31H35N3O3/c1-33(2)28-16-14-26(15-17-28)25-12-9-24(10-13-25)22-34(31(36)27-7-5-4-6-8-27)29-21-23(19-20-32-29)11-18-30(35)37-3/h9-21,27H,4-8,22H2,1-3H3/b18-11+
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408875
PNG
((E)-Methyl 3-(2-(N-(4-(6- (dimethylamino)pyridin-3...)
Show SMILES COC(=O)\C=C\c1ccnc(c1)N(Cc1ccc(cc1)-c1ccc(nc1)N(C)C)C(=O)C1CCOCC1
Show InChI InChI=1S/C29H32N4O4/c1-32(2)26-10-9-25(19-31-26)23-7-4-22(5-8-23)20-33(29(35)24-13-16-37-17-14-24)27-18-21(12-15-30-27)6-11-28(34)36-3/h4-12,15,18-19,24H,13-14,16-17,20H2,1-3H3/b11-6+
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408886
PNG
(Methyl 1-(N-((4'-(dimethylamino)-[1,1'- biphenyl]-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C(C)(C)C
Show InChI InChI=1S/C31H33N3O3/c1-31(2,3)30(36)34(28-27-16-13-25(29(35)37-6)19-24(27)17-18-32-28)20-21-7-9-22(10-8-21)23-11-14-26(15-12-23)33(4)5/h7-19H,20H2,1-6H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408892
PNG
(Ethyl 5-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl]...)
Show SMILES CCOC(=O)c1ccc2c(cccc2n1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C1CCCCC1
Show InChI InChI=1S/C34H36N2O4/c1-4-40-34(38)30-19-18-28-29(35-30)11-8-12-31(28)36(33(37)26-9-6-5-7-10-26)22-24-13-15-25(16-14-24)27-17-20-32(39-3)23(2)21-27/h8,11-21,26H,4-7,9-10,22H2,1-3H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408897
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl- [1,1'-biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C(C)C
Show InChI InChI=1S/C30H30N2O4/c1-19(2)29(33)32(28-26-12-10-25(30(34)36-5)17-24(26)14-15-31-28)18-21-6-8-22(9-7-21)23-11-13-27(35-4)20(3)16-23/h6-17,19H,18H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408903
PNG
(Methyl 1-(N-(4-(2,2- difluorobenzo[d][1,3] dioxol-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2OC(F)(F)Oc2c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H28F2N2O5/c1-30(2,3)17-27(36)35(28-24-11-9-23(29(37)38-4)15-22(24)13-14-34-28)18-19-5-7-20(8-6-19)21-10-12-25-26(16-21)40-31(32,33)39-25/h5-16H,17-18H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408908
PNG
(Methyl 1-(N-(4-(6-(dimethylamino)pyridin-3- yl)ben...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(nc1)N(C)C)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H34N4O3/c1-31(2,3)18-28(36)35(29-26-13-11-24(30(37)38-6)17-23(26)15-16-32-29)20-21-7-9-22(10-8-21)25-12-14-27(33-19-25)34(4)5/h7-17,19H,18,20H2,1-6H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408909
PNG
(Methyl 1-(3,3-dimethyl-N-(4-(6-methylpyridin- 3-yl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(C)nc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C30H31N3O3/c1-20-6-9-25(18-32-20)22-10-7-21(8-11-22)19-33(27(34)17-30(2,3)4)28-26-13-12-24(29(35)36-5)16-23(26)14-15-31-28/h6-16,18H,17,19H2,1-5H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408916
PNG
(Methyl 1-(N-(4-(2,3-dihydrobenzofuran-5- yl)benzyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2OCCc2c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H32N2O4/c1-32(2,3)19-29(35)34(30-27-11-9-26(31(36)37-4)18-24(27)13-15-33-30)20-21-5-7-22(8-6-21)23-10-12-28-25(17-23)14-16-38-28/h5-13,15,17-18H,14,16,19-20H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408918
PNG
(Methyl 1-(N-(4-(2,3- dihydrobenzo[b][1,4] dioxin-6...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2OCCOc2c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H32N2O5/c1-32(2,3)19-29(35)34(30-26-11-9-25(31(36)37-4)17-24(26)13-14-33-30)20-21-5-7-22(8-6-21)23-10-12-27-28(18-23)39-16-15-38-27/h5-14,17-18H,15-16,19-20H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408920
PNG
(Methyl 1-(3,3-dimethyl-N-(4-(2- methylbenzo[d]thia...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2sc(C)nc2c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H31N3O3S/c1-20-34-27-17-23(11-13-28(27)39-20)22-8-6-21(7-9-22)19-35(29(36)18-32(2,3)4)30-26-12-10-25(31(37)38-5)16-24(26)14-15-33-30/h6-17H,18-19H2,1-5H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408926
PNG
(Methyl 1-(N-((4'-(difluoromethyl)-[1,1'- biphenyl]...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)C(F)F)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H30F2N2O3/c1-31(2,3)18-27(36)35(29-26-14-13-25(30(37)38-4)17-24(26)15-16-34-29)19-20-5-7-21(8-6-20)22-9-11-23(12-10-22)28(32)33/h5-17,28H,18-19H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408934
PNG
(Methyl 1-(3,3-dimethyl-N-(4-(1-methylindolin- 5-yl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2N(C)CCc2c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C33H35N3O3/c1-33(2,3)20-30(37)36(31-28-12-10-27(32(38)39-5)19-25(28)14-16-34-31)21-22-6-8-23(9-7-22)24-11-13-29-26(18-24)15-17-35(29)4/h6-14,16,18-19H,15,17,20-21H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408947
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCC(C)(C)C
Show InChI InChI=1S/C33H36N2O4/c1-22-19-25(12-14-29(22)38-5)24-9-7-23(8-10-24)21-35(30(36)15-17-33(2,3)4)31-28-13-11-27(32(37)39-6)20-26(28)16-18-34-31/h7-14,16,18-20H,15,17,21H2,1-6H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408964
PNG
(Methyl 1-(N-((trans-4-(3- methoxyphenyl) cyclohexy...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1cccc(OC)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H38N2O4/c1-31(2,3)19-28(34)33(29-27-14-13-25(30(35)37-5)17-24(27)15-16-32-29)20-21-9-11-22(12-10-21)23-7-6-8-26(18-23)36-4/h6-8,13-18,21-22H,9-12,19-20H2,1-5H3/t21-,22-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408966
PNG
(Methyl 1-(N-((trans-4-(4- chlorophenyl) cyclohexyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(Cl)cc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C30H35ClN2O3/c1-30(2,3)18-27(34)33(19-20-5-7-21(8-6-20)22-9-12-25(31)13-10-22)28-26-14-11-24(29(35)36-4)17-23(26)15-16-32-28/h9-17,20-21H,5-8,18-19H2,1-4H3/t20-,21-
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408975
PNG
(US10377717, Compound 104)
Show SMILES COc1ccc(cc1C)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(CCC(O)=O)ccc23)cc1
Show InChI InChI=1S/C33H36N2O4/c1-22-18-26(12-14-29(22)39-5)25-10-6-24(7-11-25)21-35(30(36)20-33(2,3)4)32-28-13-8-23(9-15-31(37)38)19-27(28)16-17-34-32/h6-8,10-14,16-19H,9,15,20-21H2,1-5H3,(H,37,38)
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408888
PNG
(Methyl 1-(N-((4′-methoxy-3′-methyl-[1,...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H34N2O4/c1-21-17-24(12-14-28(21)37-5)23-9-7-22(8-10-23)20-34(29(35)19-32(2,3)4)30-27-13-11-26(31(36)38-6)18-25(27)15-16-33-30/h7-18H,19-20H2,1-6H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408894
PNG
(Methyl 1-(N-((4'-methoxy-3'- methyl-[1,1'-biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C1CCCCCC1
Show InChI InChI=1S/C34H36N2O4/c1-23-20-27(15-17-31(23)39-2)25-12-10-24(11-13-25)22-36(33(37)26-8-6-4-5-7-9-26)32-30-16-14-29(34(38)40-3)21-28(30)18-19-35-32/h10-21,26H,4-9,22H2,1-3H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408896
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl- [1,1'-biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(C)=O
Show InChI InChI=1S/C28H26N2O4/c1-18-15-22(10-12-26(18)33-3)21-7-5-20(6-8-21)17-30(19(2)31)27-25-11-9-24(28(32)34-4)16-23(25)13-14-29-27/h5-16H,17H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408902
PNG
(Methyl 1-(3,3-dimethyl-N-(4-(6- (trifluoromethyl)p...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(nc1)C(F)(F)F)C(=O)CC(C)(C)C
Show InChI InChI=1S/C30H28F3N3O3/c1-29(2,3)16-26(37)36(27-24-11-9-22(28(38)39-4)15-21(24)13-14-34-27)18-19-5-7-20(8-6-19)23-10-12-25(35-17-23)30(31,32)33/h5-15,17H,16,18H2,1-4H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408906
PNG
(Methyl 1-(N-(4-(6-methoxy-5-methylpyridin-3- yl)be...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1cnc(OC)c(C)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H33N3O4/c1-20-15-25(18-33-29(20)37-5)22-9-7-21(8-10-22)19-34(27(35)17-31(2,3)4)28-26-12-11-24(30(36)38-6)16-23(26)13-14-32-28/h7-16,18H,17,19H2,1-6H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408910
PNG
(Methyl 1-(N-((4'-cyclopropyl-[1,1'-biphenyl]-4- yl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)C1CC1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C33H34N2O3/c1-33(2,3)20-30(36)35(31-29-16-15-28(32(37)38-4)19-27(29)17-18-34-31)21-22-5-7-23(8-6-22)24-9-11-25(12-10-24)26-13-14-26/h5-12,15-19,26H,13-14,20-21H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408919
PNG
(Methyl 1-(3,3-dimethyl-N-(4-(1-methyl-1H- pyrrolo[...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1cnc2n(C)ccc2c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H32N4O3/c1-32(2,3)18-28(37)36(30-27-11-10-25(31(38)39-5)16-23(27)12-14-33-30)20-21-6-8-22(9-7-21)26-17-24-13-15-35(4)29(24)34-19-26/h6-17,19H,18,20H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408923
PNG
(Methyl 1-(N-((4'-ethyl-[1,1'-biphenyl]-4- yl)methy...)
Show SMILES CCc1ccc(cc1)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC)cc1
Show InChI InChI=1S/C32H34N2O3/c1-6-22-7-11-24(12-8-22)25-13-9-23(10-14-25)21-34(29(35)20-32(2,3)4)30-28-16-15-27(31(36)37-5)19-26(28)17-18-33-30/h7-19H,6,20-21H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408933
PNG
(Methyl 1-(N-(4-(indolin-5-yl)benzyl)-3,3- dimethyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2NCCc2c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H33N3O3/c1-32(2,3)19-29(36)35(30-27-11-9-26(31(37)38-4)18-24(27)13-16-34-30)20-21-5-7-22(8-6-21)23-10-12-28-25(17-23)14-15-33-28/h5-13,16-18,33H,14-15,19-20H2,1-4H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408937
PNG
(Methyl 1-(trans-N- ((3'-cyano-4'-methoxy-[1,1'- bi...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(c1)C#N)C(=O)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C33H31N3O5/c1-40-30-14-10-24(17-27(30)19-34)22-5-3-21(4-6-22)20-36(32(38)23-7-11-28(37)12-8-23)31-29-13-9-26(33(39)41-2)18-25(29)15-16-35-31/h3-6,9-10,13-18,23,28,37H,7-8,11-12,20H2,1-2H3/t23-,28-
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408940
PNG
(Isopropyl 1-(N-((4′-methoxy-3′-methyl-...)
Show SMILES COc1ccc(cc1C)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C34H38N2O4/c1-22(2)40-33(38)28-12-14-29-27(19-28)16-17-35-32(29)36(31(37)20-34(4,5)6)21-24-8-10-25(11-9-24)26-13-15-30(39-7)23(3)18-26/h8-19,22H,20-21H2,1-7H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408955
PNG
(Methyl 1-(3-hydroxy-N-((4'- methoxy-3'-methyl- [1,...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCO
Show InChI InChI=1S/C29H28N2O5/c1-19-16-22(9-11-26(19)35-2)21-6-4-20(5-7-21)18-31(27(33)13-15-32)28-25-10-8-24(29(34)36-3)17-23(25)12-14-30-28/h4-12,14,16-17,32H,13,15,18H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408973
PNG
((E)-Methyl 3-(1-(N-((4′-methoxy-3′-met...)
Show SMILES COC(=O)\C=C\c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C34H36N2O4/c1-23-19-27(13-15-30(23)39-5)26-11-7-25(8-12-26)22-36(31(37)21-34(2,3)4)33-29-14-9-24(10-16-32(38)40-6)20-28(29)17-18-35-33/h7-20H,21-22H2,1-6H3/b16-10+
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408872
PNG
((E)-Methyl 3-(4-(N-((4'-(dimethylamino)-[1,1'- bip...)
Show SMILES COC(=O)\C=C\c1cc(ccn1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C31H35N3O3/c1-33(2)28-16-13-25(14-17-28)24-11-9-23(10-12-24)22-34(31(36)26-7-5-4-6-8-26)29-19-20-32-27(21-29)15-18-30(35)37-3/h9-21,26H,4-8,22H2,1-3H3/b18-15+
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408877
PNG
(Methyl 5-(N-((4′-(dimethylamino)-[1,1′...)
Show SMILES COC(=O)c1ccc2c(cccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C34H36N2O3/c1-35(2)30-19-16-26(17-20-30)25-14-12-24(13-15-25)23-36(33(37)27-8-5-4-6-9-27)32-11-7-10-28-22-29(34(38)39-3)18-21-31(28)32/h7,10-22,27H,4-6,8-9,23H2,1-3H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408878
PNG
(N-((4'-(Dimethylamino)- [l,1'-biphenyl]-4- yl)meth...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C32H34N2O/c1-33(2)29-21-19-26(20-22-29)25-17-15-24(16-18-25)23-34(32(35)28-10-4-3-5-11-28)31-14-8-12-27-9-6-7-13-30(27)31/h6-9,12-22,28H,3-5,10-11,23H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408932
PNG
(Methyl 1-(N-((4'-(2-methoxyethyl)-[1,1'- biphenyl]...)
Show SMILES COCCc1ccc(cc1)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC)cc1
Show InChI InChI=1S/C33H36N2O4/c1-33(2,3)21-30(36)35(31-29-15-14-28(32(37)39-5)20-27(29)16-18-34-31)22-24-8-12-26(13-9-24)25-10-6-23(7-11-25)17-19-38-4/h6-16,18,20H,17,19,21-22H2,1-5H3
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408946
PNG
(Methyl 1-(N-((4'-methoxy-3'-methyl-[1,1'- biphenyl...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C34H30N2O4/c1-23-19-27(14-16-31(23)39-2)26-11-9-25(10-12-26)22-36(32(37)20-24-7-5-4-6-8-24)33-30-15-13-29(34(38)40-3)21-28(30)17-18-35-33/h4-19,21H,20,22H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408949
PNG
(Methyl 1-(4-(benzyloxy)-N-((4'-methoxy-3'- methyl-...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCCOCc1ccccc1
Show InChI InChI=1S/C37H36N2O5/c1-26-22-30(16-18-34(26)42-2)29-13-11-27(12-14-29)24-39(35(40)10-7-21-44-25-28-8-5-4-6-9-28)36-33-17-15-32(37(41)43-3)23-31(33)19-20-38-36/h4-6,8-9,11-20,22-23H,7,10,21,24-25H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM408965
PNG
(Methyl 1-(N-((trans-4-(4- methoxyphenyl) cyclohexy...)
Show SMILES COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)cc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C31H38N2O4/c1-31(2,3)19-28(34)33(29-27-15-12-25(30(35)37-5)18-24(27)16-17-32-29)20-21-6-8-22(9-7-21)23-10-13-26(36-4)14-11-23/h10-18,21-22H,6-9,19-20H2,1-5H3/t21-,22-
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n/an/an/an/a<1.00E+3n/an/an/an/a



METACRINE, INC.

US Patent


Assay Description
SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37 C. in 5...


US Patent US10377717 (2019)


BindingDB Entry DOI: 10.7270/Q21C2082
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%