BDBM504304 3α,7α,11β-rihydroxy-6α-ethyl-5β-cholan-24-O-sulphate, sodium salt ::US11034717, Compound 5

SMILES: CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)CCCOS(=O)(=O)O[Na])[C@@]3(C)C[C@H](O)C2[C@@]2(C)CC[C@@H](O)C[C@@H]12

InChI Key: InChIKey=DQERVEMYTKUQHX-SLDVIMLYSA-M

Data: 6 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 504304   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Fragile X mental retardation syndrome-related protein 1 (Human)	BDBM504304 (3α,7α,11β-rihydroxy-6α-ethyl-5...) Show SMILES CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)CCCOS(=O)(=O)O[Na])[C@@]3(C)C[C@H](O)C2[C@@]2(C)CC[C@@H](O)C[C@@H]12 Show InChI InChI=1S/C26H46O7S.Na/c1-5-17-20-13-16(27)10-11-25(20,3)23-21(28)14-26(4)18(8-9-19(26)22(23)24(17)29)15(2)7-6-12-33-34(30,31)32;/h15-24,27-29H,5-14H2,1-4H3,(H,30,31,32);/q;+1/p-1/t15-,16-,17-,18-,19?,20+,21+,22?,23?,24-,25+,26-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Intercept Pharmaceuticals, Inc. US Patent					Assay Description AlphaScreen was used with the aim of identifying novel modulators by taking advantage of the bimolecular interaction prevailing between FXR and the L...				US Patent US11034717 (2021)
					More data for this Ligand-Target Pair
Fragile X mental retardation syndrome-related protein 1 (Human)	BDBM504304 (3α,7α,11β-rihydroxy-6α-ethyl-5...) Show SMILES CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)CCCOS(=O)(=O)O[Na])[C@@]3(C)C[C@H](O)C2[C@@]2(C)CC[C@@H](O)C[C@@H]12 Show InChI InChI=1S/C26H46O7S.Na/c1-5-17-20-13-16(27)10-11-25(20,3)23-21(28)14-26(4)18(8-9-19(26)22(23)24(17)29)15(2)7-6-12-33-34(30,31)32;/h15-24,27-29H,5-14H2,1-4H3,(H,30,31,32);/q;+1/p-1/t15-,16-,17-,18-,19?,20+,21+,22?,23?,24-,25+,26-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Intercept Pharmaceuticals, Inc. US Patent					Assay Description AlphaScreen was used with the aim of identifying novel modulators by taking advantage of the bimolecular interaction prevailing between FXR and the L...				US Patent US11034717 (2021)
					More data for this Ligand-Target Pair
FMR1 autosomal homolog 1 (Dog)	BDBM504304 (3α,7α,11β-rihydroxy-6α-ethyl-5...) Show SMILES CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)CCCOS(=O)(=O)O[Na])[C@@]3(C)C[C@H](O)C2[C@@]2(C)CC[C@@H](O)C[C@@H]12 Show InChI InChI=1S/C26H46O7S.Na/c1-5-17-20-13-16(27)10-11-25(20,3)23-21(28)14-26(4)18(8-9-19(26)22(23)24(17)29)15(2)7-6-12-33-34(30,31)32;/h15-24,27-29H,5-14H2,1-4H3,(H,30,31,32);/q;+1/p-1/t15-,16-,17-,18-,19?,20+,21+,22?,23?,24-,25+,26-;/m1./s1	PDB UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	730	n/a	n/a	n/a	n/a
Intercept Pharmaceuticals, Inc. US Patent					Assay Description AlphaScreen was used with the aim of identifying novel modulators by taking advantage of the bimolecular interaction prevailing between FXR and the L...				US Patent US11034717 (2021)
					More data for this Ligand-Target Pair
Fragile X mental retardation syndrome-related protein 1 (Mouse)	BDBM504304 (3α,7α,11β-rihydroxy-6α-ethyl-5...) Show SMILES CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)CCCOS(=O)(=O)O[Na])[C@@]3(C)C[C@H](O)C2[C@@]2(C)CC[C@@H](O)C[C@@H]12 Show InChI InChI=1S/C26H46O7S.Na/c1-5-17-20-13-16(27)10-11-25(20,3)23-21(28)14-26(4)18(8-9-19(26)22(23)24(17)29)15(2)7-6-12-33-34(30,31)32;/h15-24,27-29H,5-14H2,1-4H3,(H,30,31,32);/q;+1/p-1/t15-,16-,17-,18-,19?,20+,21+,22?,23?,24-,25+,26-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Intercept Pharmaceuticals, Inc. US Patent					Assay Description AlphaScreen was used with the aim of identifying novel modulators by taking advantage of the bimolecular interaction prevailing between FXR and the L...				US Patent US11034717 (2021)
					More data for this Ligand-Target Pair
Fragile X mental retardation syndrome-related protein 1 (Rat)	BDBM504304 (3α,7α,11β-rihydroxy-6α-ethyl-5...) Show SMILES CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)CCCOS(=O)(=O)O[Na])[C@@]3(C)C[C@H](O)C2[C@@]2(C)CC[C@@H](O)C[C@@H]12 Show InChI InChI=1S/C26H46O7S.Na/c1-5-17-20-13-16(27)10-11-25(20,3)23-21(28)14-26(4)18(8-9-19(26)22(23)24(17)29)15(2)7-6-12-33-34(30,31)32;/h15-24,27-29H,5-14H2,1-4H3,(H,30,31,32);/q;+1/p-1/t15-,16-,17-,18-,19?,20+,21+,22?,23?,24-,25+,26-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Intercept Pharmaceuticals, Inc. US Patent					Assay Description AlphaScreen was used with the aim of identifying novel modulators by taking advantage of the bimolecular interaction prevailing between FXR and the L...				US Patent US11034717 (2021)
					More data for this Ligand-Target Pair
Fragile X mental retardation syndrome-related protein 1 (Human)	BDBM504304 (3α,7α,11β-rihydroxy-6α-ethyl-5...) Show SMILES CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)CCCOS(=O)(=O)O[Na])[C@@]3(C)C[C@H](O)C2[C@@]2(C)CC[C@@H](O)C[C@@H]12 Show InChI InChI=1S/C26H46O7S.Na/c1-5-17-20-13-16(27)10-11-25(20,3)23-21(28)14-26(4)18(8-9-19(26)22(23)24(17)29)15(2)7-6-12-33-34(30,31)32;/h15-24,27-29H,5-14H2,1-4H3,(H,30,31,32);/q;+1/p-1/t15-,16-,17-,18-,19?,20+,21+,22?,23?,24-,25+,26-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Intercept Pharmaceuticals, Inc. US Patent					Assay Description AlphaScreen was used with the aim of identifying novel modulators by taking advantage of the bimolecular interaction prevailing between FXR and the L...				US Patent US11034717 (2021)
					More data for this Ligand-Target Pair