Compile Data Set for Download or QSAR

Found 293 hits Enz. Inhib. hit(s) with Target = 'Liver Receptor Homolog 1'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22373 ((3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-1,2,...) Show SMILES CCC\C=C(/CCC)C1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C28H35N/c1-3-5-14-22(13-4-2)26-21-24-17-12-20-28(24,29-25-18-10-7-11-19-25)27(26)23-15-8-6-9-16-23/h6-11,14-16,18-19,24,29H,3-5,12-13,17,20-21H2,1-2H3/b22-14+/t24-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	430	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22395 (N-[(3aS,6aR)-5-hexyl-4-phenyl-1,2,3,3a,6,6a-hexahy...) Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1cccc2ccccc12 Show InChI InChI=1S/C30H35N/c1-2-3-4-6-16-25-22-26-18-12-21-30(26,29(25)24-14-7-5-8-15-24)31-28-20-11-17-23-13-9-10-19-27(23)28/h5,7-11,13-15,17,19-20,26,31H,2-4,6,12,16,18,21-22H2,1H3/t26-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22375 ((3aS,6aR)-4-butyl-5-[(4E)-oct-4-en-4-yl]-N-phenyl-...) Show SMILES CCCCC1=C(C[C@H]2CCC[C@@]12Nc1ccccc1)C(\CCC)=C\CCC Show InChI InChI=1S/C26H39N/c1-4-7-14-21(13-6-3)24-20-22-15-12-19-26(22,25(24)18-8-5-2)27-23-16-10-9-11-17-23/h9-11,14,16-17,22,27H,4-8,12-13,15,18-20H2,1-3H3/b21-14+/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22376 ((3aS,6aR)-4-cyclohexyl-5-[(4E)-oct-4-en-4-yl]-N-ph...) Show SMILES CCC\C=C(/CCC)C1=C(C2CCCCC2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C28H41N/c1-3-5-14-22(13-4-2)26-21-24-17-12-20-28(24,29-25-18-10-7-11-19-25)27(26)23-15-8-6-9-16-23/h7,10-11,14,18-19,23-24,29H,3-6,8-9,12-13,15-17,20-21H2,1-2H3/b22-14+/t24-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22377 ((3aS,6aR)-4-(4-bromophenyl)-5-[(4E)-oct-4-en-4-yl]...) Show SMILES CCC\C=C(/CCC)C1=C(c2ccc(Br)cc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C28H34BrN/c1-3-5-11-21(10-4-2)26-20-23-12-9-19-28(23,30-25-13-7-6-8-14-25)27(26)22-15-17-24(29)18-16-22/h6-8,11,13-18,23,30H,3-5,9-10,12,19-20H2,1-2H3/b21-11+/t23-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22378 ((3aS,6aR)-4-(3-methoxyphenyl)-5-[(4E)-oct-4-en-4-y...) Show SMILES CCC\C=C(/CCC)C1=C(c2cccc(OC)c2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C29H37NO/c1-4-6-13-22(12-5-2)27-21-24-15-11-19-29(24,30-25-16-8-7-9-17-25)28(27)23-14-10-18-26(20-23)31-3/h7-10,13-14,16-18,20,24,30H,4-6,11-12,15,19,21H2,1-3H3/b22-13+/t24-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22379 ((3aS,6aR)-4-(naphthalen-2-yl)-5-[(4E)-oct-4-en-4-y...) Show SMILES CCC\C=C(/CCC)C1=C(c2ccc3ccccc3c2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C32H37N/c1-3-5-13-25(12-4-2)30-23-28-16-11-21-32(28,33-29-17-7-6-8-18-29)31(30)27-20-19-24-14-9-10-15-26(24)22-27/h6-10,13-15,17-20,22,28,33H,3-5,11-12,16,21,23H2,1-2H3/b25-13+/t28-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22380 ((3aS,6aR)-5-[(3E)-hex-3-en-3-yl]-N,4-diphenyl-1,2,...) Show SMILES CC\C=C(/CC)C1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C26H31N/c1-3-12-20(4-2)24-19-22-15-11-18-26(22,27-23-16-9-6-10-17-23)25(24)21-13-7-5-8-14-21/h5-10,12-14,16-17,22,27H,3-4,11,15,18-19H2,1-2H3/b20-12+/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22381 ((3aS,6aR)-5-[(6E)-dodec-6-en-6-yl]-N,4-diphenyl-1,...) Show SMILES CCCCC\C=C(/CCCCC)C1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C32H43N/c1-3-5-7-11-18-26(17-10-6-4-2)30-25-28-21-16-24-32(28,33-29-22-14-9-15-23-29)31(30)27-19-12-8-13-20-27/h8-9,12-15,18-20,22-23,28,33H,3-7,10-11,16-17,21,24-25H2,1-2H3/b26-18+/t28-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22382 ((3aS,6aR)-5-(hexan-2-yl)-N,4-diphenyl-1,2,3,3a,6,6...) Show SMILES CCCCC(C)C1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C26H33N/c1-3-4-12-20(2)24-19-22-15-11-18-26(22,27-23-16-9-6-10-17-23)25(24)21-13-7-5-8-14-21/h5-10,13-14,16-17,20,22,27H,3-4,11-12,15,18-19H2,1-2H3/t20?,22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22383 ((3aS,6aR)-5-(decan-2-yl)-N,4-diphenyl-1,2,3,3a,6,6...) Show SMILES CCCCCCCCC(C)C1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C30H41N/c1-3-4-5-6-7-10-16-24(2)28-23-26-19-15-22-30(26,31-27-20-13-9-14-21-27)29(28)25-17-11-8-12-18-25/h8-9,11-14,17-18,20-21,24,26,31H,3-7,10,15-16,19,22-23H2,1-2H3/t24?,26-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22384 ((3aS,6aR)-5-methyl-N,4-diphenyl-1,2,3,3a,6,6a-hexa...) Show SMILES CC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C21H23N/c1-16-15-18-11-8-14-21(18,22-19-12-6-3-7-13-19)20(16)17-9-4-2-5-10-17/h2-7,9-10,12-13,18,22H,8,11,14-15H2,1H3/t18-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22385 ((3aS,6aR)-5-hexyl-N,4-diphenyl-1,2,3,3a,6,6a-hexah...) Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C26H33N/c1-2-3-4-7-15-22-20-23-16-12-19-26(23,27-24-17-10-6-11-18-24)25(22)21-13-8-5-9-14-21/h5-6,8-11,13-14,17-18,23,27H,2-4,7,12,15-16,19-20H2,1H3/t23-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22386 ((3aS,6aR)-5-cyclohexyl-N,4-diphenyl-1,2,3,3a,6,6a-...) Show SMILES C1C[C@@H]2CC(C3CCCCC3)=C(c3ccccc3)[C@@]2(C1)Nc1ccccc1 Show InChI InChI=1S/C26H31N/c1-4-11-20(12-5-1)24-19-22-15-10-18-26(22,27-23-16-8-3-9-17-23)25(24)21-13-6-2-7-14-21/h2-3,6-9,13-14,16-17,20,22,27H,1,4-5,10-12,15,18-19H2/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22387 ((3aS,6aR)-5-dodecyl-N,4-diphenyl-1,2,3,3a,6,6a-hex...) Show SMILES CCCCCCCCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C32H45N/c1-2-3-4-5-6-7-8-9-10-13-21-28-26-29-22-18-25-32(29,33-30-23-16-12-17-24-30)31(28)27-19-14-11-15-20-27/h11-12,14-17,19-20,23-24,29,33H,2-10,13,18,21-22,25-26H2,1H3/t29-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22388 ((3aS,6aR)-N,4,5-triphenyl-1,2,3,3a,6,6a-hexahydrop...) Show SMILES C1C[C@@H]2CC(=C(c3ccccc3)[C@@]2(C1)Nc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H25N/c1-4-11-20(12-5-1)24-19-22-15-10-18-26(22,27-23-16-8-3-9-17-23)25(24)21-13-6-2-7-14-21/h1-9,11-14,16-17,22,27H,10,15,18-19H2/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22389 ((3aS,6aR)-N-(3-fluorophenyl)-5-hexyl-4-phenyl-1,2,...) Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1cccc(F)c1 Show InChI InChI=1S/C26H32FN/c1-2-3-4-6-13-21-18-22-14-10-17-26(22,25(21)20-11-7-5-8-12-20)28-24-16-9-15-23(27)19-24/h5,7-9,11-12,15-16,19,22,28H,2-4,6,10,13-14,17-18H2,1H3/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22390 ((3aS,6aR)-N-(4-chlorophenyl)-5-hexyl-4-phenyl-1,2,...) Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C26H32ClN/c1-2-3-4-6-12-21-19-22-13-9-18-26(22,25(21)20-10-7-5-8-11-20)28-24-16-14-23(27)15-17-24/h5,7-8,10-11,14-17,22,28H,2-4,6,9,12-13,18-19H2,1H3/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22391 ((3aS,6aR)-N-(2,3-dimethylphenyl)-5-hexyl-4-phenyl-...) Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1cccc(C)c1C Show InChI InChI=1S/C28H37N/c1-4-5-6-8-16-24-20-25-17-12-19-28(25,27(24)23-14-9-7-10-15-23)29-26-18-11-13-21(2)22(26)3/h7,9-11,13-15,18,25,29H,4-6,8,12,16-17,19-20H2,1-3H3/t25-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22392 ((3aS,6aR)-5-hexyl-4-phenyl-N-[4-(trifluoromethoxy)...) Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H32F3NO/c1-2-3-4-6-12-21-19-22-13-9-18-26(22,25(21)20-10-7-5-8-11-20)31-23-14-16-24(17-15-23)32-27(28,29)30/h5,7-8,10-11,14-17,22,31H,2-4,6,9,12-13,18-19H2,1H3/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22393 ((3aS,6aR)-N-(4-tert-butylphenyl)-5-hexyl-4-phenyl-...) Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C30H41N/c1-5-6-7-9-15-24-22-26-16-12-21-30(26,28(24)23-13-10-8-11-14-23)31-27-19-17-25(18-20-27)29(2,3)4/h8,10-11,13-14,17-20,26,31H,5-7,9,12,15-16,21-22H2,1-4H3/t26-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22394 ((3aS,6aR)-5-hexyl-N-(4-iodophenyl)-4-phenyl-1,2,3,...) Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccc(I)cc1 Show InChI InChI=1S/C26H32IN/c1-2-3-4-6-12-21-19-22-13-9-18-26(22,25(21)20-10-7-5-8-11-20)28-24-16-14-23(27)15-17-24/h5,7-8,10-11,14-17,22,28H,2-4,6,9,12-13,18-19H2,1H3/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
Liver Receptor Homolog 1 (Homo sapiens (human))	BDBM22374 ((3aS,6aR)-4-methyl-5-[(4E)-oct-4-en-4-yl]-N-phenyl...) Show SMILES CCC\C=C(/CCC)C1=C(C)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 Show InChI InChI=1S/C23H33N/c1-4-6-12-19(11-5-2)22-17-20-13-10-16-23(20,18(22)3)24-21-14-8-7-9-15-21/h7-9,12,14-15,20,24H,4-6,10-11,13,16-17H2,1-3H3/b19-12+/t20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	7.5	22
University of Southampton					Assay Description The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-deriv...				J Med Chem 49: 6652-5 (2006) Article DOI: 10.1021/jm060990k BindingDB Entry DOI: 10.7270/Q2930RGT
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95468 (4-[(2,3-Dihydro-benzo[1,4]dioxin-6-ylcarbamoyl)-me...) Show SMILES CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc2OCCOc2c1 Show InChI InChI=1S/C19H18N2O5S/c1-2-24-19(23)14-10-17-13(5-8-27-17)21(14)11-18(22)20-12-3-4-15-16(9-12)26-7-6-25-15/h3-5,8-10H,2,6-7,11H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95469 ((2S)-2-[5-[[2-(2,4-dimethylanilino)-2-keto-ethyl]t...) Show SMILES Cc1ccc(NC(=O)CSc2nnc(o2)[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 Show InChI InChI=1S/C21H28N4O4S/c1-13-8-9-15(14(2)11-13)22-17(26)12-30-19-24-23-18(28-19)16-7-6-10-25(16)20(27)29-21(3,4)5/h8-9,11,16H,6-7,10,12H2,1-5H3,(H,22,26)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	>1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95470 ((2S)-2-[5-[[2-(2-ethylanilino)-2-keto-ethyl]thio]-...) Show SMILES CCc1ccccc1NC(=O)CSc1nnc(o1)[C@@H]1CCCN1C(=O)OC(C)(C)C Show InChI InChI=1S/C21H28N4O4S/c1-5-14-9-6-7-10-15(14)22-17(26)13-30-19-24-23-18(28-19)16-11-8-12-25(16)20(27)29-21(2,3)4/h6-7,9-10,16H,5,8,11-13H2,1-4H3,(H,22,26)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95679 (1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [...) Show SMILES Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1SCC#N Show InChI InChI=1S/C23H22N4O3S/c1-16-22(17(2)27(26-16)14-18-8-4-3-5-9-18)23(29)30-15-21(28)25-19-10-6-7-11-20(19)31-13-12-24/h3-11H,13-15H2,1-2H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	>1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95680 (MLS000097457 | N-(2-methoxyphenyl)-4-[2-[(1-methyl...) Show SMILES COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 Show InChI InChI=1S/C18H18N6O3S/c1-24-18(21-22-23-24)28-11-16(25)19-13-9-7-12(8-10-13)17(26)20-14-5-3-4-6-15(14)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	437	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM68466 (2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-(4-bro...) Show SMILES Brc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)14-10(16)7-15-11(17)5-6-12(15)18/h1-4H,5-7H2,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95681 (1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-(2...) Show SMILES O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc2OCCOc2c1 Show InChI InChI=1S/C22H19N3O6/c26-20(23-16-6-8-18-19(12-16)30-11-10-29-18)14-31-22(28)17-7-9-21(27)25(24-17)13-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM49038 (MLS000057474 | N-(2-furanylmethyl)-4-oxo-3-phenyl-...) Show SMILES O=C(NCc1ccco1)c1nn(-c2ccccc2)c(=O)c2ccccc12 Show InChI InChI=1S/C20H15N3O3/c24-19(21-13-15-9-6-12-26-15)18-16-10-4-5-11-17(16)20(25)23(22-18)14-7-2-1-3-8-14/h1-12H,13H2,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95471 (3-(cyclopropanecarbonylamino)-N-(3-methoxyphenyl)-...) Show SMILES COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)c1 Show InChI InChI=1S/C20H18N2O4/c1-25-14-6-4-5-13(11-14)21-20(24)18-17(22-19(23)12-9-10-12)15-7-2-3-8-16(15)26-18/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM42698 (2-cyclohexyl-3-keto-N-(3-pyridylmethyl)isoindoline...) Show SMILES O=C(NCc1cccnc1)c1cccc2CN(C3CCCCC3)C(=O)c12 Show InChI InChI=1S/C21H23N3O2/c25-20(23-13-15-6-5-11-22-12-15)18-10-4-7-16-14-24(21(26)19(16)18)17-8-2-1-3-9-17/h4-7,10-12,17H,1-3,8-9,13-14H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95472 (MLS000047362 | N-(3-fluoranyl-4-methyl-phenyl)-2-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1 Show InChI InChI=1S/C20H24FN3O4S/c1-15-3-4-16(13-19(15)21)22-20(25)14-23-9-11-24(12-10-23)29(26,27)18-7-5-17(28-2)6-8-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	6.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95473 (4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethy...) Show SMILES COC(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H22ClN3O3/c1-27-20(26)15-2-6-17(7-3-15)22-19(25)14-23-10-12-24(13-11-23)18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95474 (MLS000047465 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...) Show SMILES COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C23H28N4O5/c1-30-19-5-3-2-4-18(19)25-23(29)16-27-10-8-26(9-11-27)15-22(28)24-17-6-7-20-21(14-17)32-13-12-31-20/h2-7,14H,8-13,15-16H2,1H3,(H,24,28)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM87675 (MLS000091597 | N-[(5-{[2-(2,3-dihydro-1,4-benzodio...) Show SMILES Fc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc3OCCOc3c2)o1 Show InChI InChI=1S/C20H17FN4O5S/c21-14-4-2-1-3-13(14)19(27)22-10-18-24-25-20(30-18)31-11-17(26)23-12-5-6-15-16(9-12)29-8-7-28-15/h1-6,9H,7-8,10-11H2,(H,22,27)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95475 (2-ethoxy-N-(4-{[(2-phenylethyl)amino]sulfonyl}phen...) Show SMILES CCOCC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C18H22N2O4S/c1-2-24-14-18(21)20-16-8-10-17(11-9-16)25(22,23)19-13-12-15-6-4-3-5-7-15/h3-11,19H,2,12-14H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95476 (MLS000050294 | N-[2-methyl-5-(3-methyl-[1,2,4]tria...) Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2cccs2)c1 Show InChI InChI=1S/C16H13N5OS2/c1-9-5-6-11(15-20-21-10(2)18-19-16(21)24-15)8-12(9)17-14(22)13-4-3-7-23-13/h3-8H,1-2H3,(H,17,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95477 (3,4,5-trimethoxy-N-[2-(4-methylsulfonyl-1-piperazi...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C21H27N3O6S/c1-28-18-13-15(14-19(29-2)20(18)30-3)21(25)22-16-7-5-6-8-17(16)23-9-11-24(12-10-23)31(4,26)27/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM68570 (MLS000052177 | N-(1,3-benzodioxol-5-yl)-2-(2-chlor...) Show SMILES Clc1cc(ccc1OCC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C19H19ClN2O6S/c20-15-10-14(29(24,25)22-7-1-2-8-22)4-6-16(15)26-11-19(23)21-13-3-5-17-18(9-13)28-12-27-17/h3-6,9-10H,1-2,7-8,11-12H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95478 ((2E)-1-(4-methoxyphenyl)-5,7-dimethyl-2-(2-oxidany...) Show SMILES COc1ccc(cc1)N1C(NC(=O)c2c(C)cc(C)nc12)=CC(C)=O Show InChI InChI=1S/C19H19N3O3/c1-11-9-12(2)20-18-17(11)19(24)21-16(10-13(3)23)22(18)14-5-7-15(25-4)8-6-14/h5-10H,1-4H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	8.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95479 (MLS000115704 | N-[2-methyl-5-(3-methyl-[1,2,4]tria...) Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccco2)c1 Show InChI InChI=1S/C16H13N5O2S/c1-9-5-6-11(15-20-21-10(2)18-19-16(21)24-15)8-12(9)17-14(22)13-4-3-7-23-13/h3-8H,1-2H3,(H,17,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM38187 (MLS000115911 | N-(4-chlorophenyl)-2-[(5-cyclopropy...) Show SMILES CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1 Show InChI InChI=1S/C15H17ClN4OS/c1-2-20-14(10-3-4-10)18-19-15(20)22-9-13(21)17-12-7-5-11(16)6-8-12/h5-8,10H,2-4,9H2,1H3,(H,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95480 (2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-N...) Show SMILES CCOc1ccc(NC(=O)CSc2nnc(C(C)C)n2CC)cc1 Show InChI InChI=1S/C17H24N4O2S/c1-5-21-16(12(3)4)19-20-17(21)24-11-15(22)18-13-7-9-14(10-8-13)23-6-2/h7-10,12H,5-6,11H2,1-4H3,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95481 (1-[(1-tert-amyltetrazol-5-yl)methyl]-4-[3-(trifluo...) Show SMILES CCC(C)(C)n1nnnc1CN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H26F3N5O/c1-4-17(2,3)27-16(23-24-25-27)13-26-10-8-18(28,9-11-26)14-6-5-7-15(12-14)19(20,21)22/h5-7,12,28H,4,8-11,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95482 (4-[5-(2-methoxyphenoxy)-1,2,3,4-tetrazol-1-yl]benz...) Show SMILES COc1ccccc1Oc1nnnn1-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C15H13N5O3/c1-22-12-4-2-3-5-13(12)23-15-17-18-19-20(15)11-8-6-10(7-9-11)14(16)21/h2-9H,1H3,(H2,16,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95483 (2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperaziny...) Show SMILES CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC)cc3)CC2)cc1 Show InChI InChI=1S/C23H30N4O4/c1-3-31-21-10-6-19(7-11-21)25-23(29)17-27-14-12-26(13-15-27)16-22(28)24-18-4-8-20(30-2)9-5-18/h4-11H,3,12-17H2,1-2H3,(H,24,28)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95484 (4-amino-3-(4-methoxyphenyl)-N-(3-pyridinylmethyl)-...) Show SMILES COc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)NCc1cccnc1 Show InChI InChI=1S/C17H16N4O2S2/c1-23-13-6-4-12(5-7-13)21-15(18)14(25-17(21)24)16(22)20-10-11-3-2-8-19-9-11/h2-9H,10,18H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (human))	BDBM95485 (3-[2-(4-ethoxyphenoxy)ethyl]-5-(1H-indol-3-ylmethy...) Show SMILES CCOc1ccc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1 Show InChI InChI=1S/C22H23N3O4/c1-2-28-16-7-9-17(10-8-16)29-12-11-25-21(26)20(24-22(25)27)13-15-14-23-19-6-4-3-5-18(15)19/h3-10,14,20,23H,2,11-13H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	4.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair

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