Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50018639   

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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50610573 (CHEMBL5268158) Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM91427 (2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-ph...) Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50610573 (CHEMBL5268158) Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM83922 (1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50610573 (CHEMBL5268158) Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50610574 (CHEMBL3634637) Show SMILES [H][C@@]1([#6]-[#6][C@]2([#6])[C@]1([H])[#6@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]3([H])[#6@@H](-[#8])-[#6][C@@]21[#6])[C@]([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		5.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50532210 (CHEBI:67078 | DELTA9-TETRAHYDROCANNABINOLIC ACID A) Show SMILES [H][C@@]12CCC(C)=C[C@@]1([H])c1c(O)c(C(O)=O)c(CCCCC)cc1OC2(C)C |r,c:5| Show InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM25524 (17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...) Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	566	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM23409 (3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...) Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50529607 (Beta-Caryophylene | Beta-Caryophyllene | CHEBI:103...) Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C |r,t:12| Show InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem		n/a	n/a	n/a	n/a	9.58E+3	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50610573 (CHEMBL5268158) Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	906	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	n/a	n/a	580	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	n/a	3.41E+5	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM78304 (2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...) Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50610573 (CHEMBL5268158) Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM78304 (2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...) Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	n/a	458	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM78304 (2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...) Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50610573 (CHEMBL5268158) Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
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