Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'mckee' and Initial = 'tc'   

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
Transcription factor Jun (Homo sapiens (Human))	BDBM50295171 (AILANTHINONE | CHEMBL487194) Show SMILES CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@@]3(O)OC[C@@]22[C@H]3[C@]3(C)[C@@H](C[C@H]2OC1=O)C(C)CC(=O)C3=O |r,TLB:12:11:18:16.15,10:9:18:16.15,7:8:18:16.15| Show InChI InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h10-13,15-18,22,27,31H,6-9H2,1-5H3/t10?,11?,12-,13+,15-,16-,17-,18-,22-,23-,24+,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of TPA-induced AP1 transfected in HEK293 cells assessed as inhibition of beta-lactamase reporter activity treated 1 hr before TPA stimulat...				J Nat Prod 72: 503-6 (2010) Article DOI: 10.1021/np800732n BindingDB Entry DOI: 10.7270/Q2BZ66ZP
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50349194 (GLAUCARUBINONE | NSC-14975) Show SMILES CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@@]22[C@H]3[C@]3(C)[C@@H](C[C@H]2OC1=O)C(C)CC(=O)C3=O |r,TLB:11:10:19:17.16,8:9:19:17.16,13:12:19:17.16| Show InChI InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h10-12,14-17,20,27,31-32H,6-9H2,1-5H3/t10?,11-,12+,14-,15-,16-,17-,20-,22+,23-,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of TPA-induced AP1 transfected in HEK293 cells assessed as inhibition of beta-lactamase reporter activity treated 1 hr before TPA stimulat...				J Nat Prod 72: 503-6 (2010) Article DOI: 10.1021/np800732n BindingDB Entry DOI: 10.7270/Q2BZ66ZP
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50295170 (6R-senecionylchaparrin | CHEMBL564009) Show SMILES [#6]-[#6@H]-1-[#6@@H](-[#8])[C@@]2([#8])[#8]-[#6][C@]34[#6@H]2[C@@]2([#6])[#6@H](-[#8])-[#6@@H](-[#8])-[#6]=[#6](-[#6])-[#6@@H]2-[#6@@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6@H]3-[#8]-[#6](=O)-[#6]-[#6@@H]-14 |r,t:17,TLB:3:2:9:6.7,0:1:9:6.7,32:33:9:6.7| Show InChI InChI=1S/C25H34O9/c1-10(2)6-15(27)33-18-17-11(3)7-14(26)20(30)23(17,5)22-24-9-32-25(22,31)19(29)12(4)13(24)8-16(28)34-21(18)24/h6-7,12-14,17-22,26,29-31H,8-9H2,1-5H3/t12-,13+,14+,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of TPA-induced AP1 transfected in HEK293 cells assessed as inhibition of beta-lactamase reporter activity treated 1 hr before TPA stimulat...				J Nat Prod 72: 503-6 (2010) Article DOI: 10.1021/np800732n BindingDB Entry DOI: 10.7270/Q2BZ66ZP
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50190657 (CHEMBL1194747) Show SMILES [H][C@@]12C[C@@]34[C@@H](O)[C@@]([H])(C(=O)C=C3S1)[N+]1=C3c5c(CC1)c[nH]c5C(=O)C(N2)=C43 |r,c:10,t:15,30,TLB:5:4:13.26.14:11.8.10| Show InChI InChI=1S/C18H13N3O3S/c22-7-3-8-18-4-9(25-8)20-13-11(18)15-10-6(5-19-12(10)16(13)23)1-2-21(15)14(7)17(18)24/h3,5,9,14,17,24H,1-2,4H2,(H,19,20,23)/p+1/t9-,14+,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...				J Nat Prod 79: 1267-75 (2016) Article DOI: 10.1021/acs.jnatprod.5b00846 BindingDB Entry DOI: 10.7270/Q2H9975X
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50190661 (CHEMBL3901938) Show SMILES [H][C@]12Nc3ccccc3[C@]1(C[C@]13SS[C@@](CO)(N(C)C1=O)C(=O)N23)n1cc(C[C@]23SS[C@@](CO)(N(C)C2=O)C(=O)N3C)c2ccccc12 |r| Show InChI InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30-,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...				J Nat Prod 79: 1267-75 (2016) Article DOI: 10.1021/acs.jnatprod.5b00846 BindingDB Entry DOI: 10.7270/Q2H9975X
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50190659 (CHEMBL3912024) Show SMILES [H][C@@]12C[C@@]34C(S1)=CC(=O)[C@@]([H])([N+]1=C5c6c(CC1)c[nH]c6C(=O)C(N2)=C35)[C@]4([H])Sc1ncc(C[C@H](N)C(O)=O)n1C |r,c:6,t:12,27,TLB:6:4:2:22.24.23,THB:8:7:25:24.12.11| Show InChI InChI=1S/C25H22N6O4S2/c1-30-10(4-11(26)23(34)35)8-28-24(30)37-22-19-12(32)5-13-25(22)6-14(36-13)29-18-16(25)20-15-9(2-3-31(19)20)7-27-17(15)21(18)33/h5,7-8,11,14,19,22H,2-4,6,26H2,1H3,(H2,27,29,33,34,35)/p+1/t11-,14-,19+,22-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...				J Nat Prod 79: 1267-75 (2016) Article DOI: 10.1021/acs.jnatprod.5b00846 BindingDB Entry DOI: 10.7270/Q2H9975X
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50190656 (CHEMBL3910426) Show SMILES [H][C@@]12C[C@@]34C(S1)=CC(=O)[C@@]([H])([N+]1=C5c6c(CC1)c[nH]c6C(=O)C(N2)=C35)[C@]4([H])SC1=CC(=O)C(Br)=C[C@]11CCNC2=C1C1=NCCc3c[nH]c(c13)C2=O |r,c:6,40,47,t:12,27,35,50,TLB:6:4:2:22.24.23,THB:8:7:25:24.12.11| Show InChI InChI=1S/C36H25BrN6O4S2/c37-15-9-35(3-5-39-28-23(35)25-21-13(1-4-38-25)11-40-26(21)32(28)46)18(7-16(15)44)49-34-30-17(45)8-19-36(34)10-20(48-19)42-29-24(36)31-22-14(2-6-43(30)31)12-41-27(22)33(29)47/h7-9,11-12,20,30,34H,1-6,10H2,(H3,38,39,40,41,42,46,47)/p+1/t20-,30+,34-,35+,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...				J Nat Prod 79: 1267-75 (2016) Article DOI: 10.1021/acs.jnatprod.5b00846 BindingDB Entry DOI: 10.7270/Q2H9975X
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50269764 ((+)-Discorhabdin B | CHEMBL459120 | Discorhabdin A...) Show SMILES BrC1=C[C@]23C[C@H](SC2=CC1=O)N=C1C3C2=NCCc3c[nH]c(c23)C1=O |r,c:8,13,t:1,17| Show InChI InChI=1S/C18H12BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h3-4,6,11,13,21H,1-2,5H2/t11?,13?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...				J Nat Prod 79: 1267-75 (2016) Article DOI: 10.1021/acs.jnatprod.5b00846 BindingDB Entry DOI: 10.7270/Q2H9975X
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50352478 (CHEMBL1823866) Show SMILES CC[C@H]1NC(=O)[C@@H]2CSC(=N2)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CSC1=N2)C(C)C |r,c:9,t:81| Show InChI InChI=1S/C60H79N9O9S2/c1-11-42-54-64-44(34-79-54)56(73)66(8)46(30-39-22-15-12-16-23-39)52(71)65-49(35(2)3)53(72)61-38(7)37(6)60(77)78-48(32-41-26-19-14-20-27-41)58(75)68(10)50(36(4)5)59(76)69-29-21-28-45(69)57(74)67(9)47(31-40-24-17-13-18-25-40)55-63-43(33-80-55)51(70)62-42/h12-20,22-27,35-38,42-50H,11,21,28-34H2,1-10H3,(H,61,72)(H,62,70)(H,65,71)/t37-,38-,42-,43+,44+,45+,46-,47-,48+,49-,50+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of AP1 expressed in HEK293T cells coexpressing beta-lactamase pre-incubated 1 hr before TPA addition measured 18 hrs post TPA challenge by...				J Nat Prod 74: 1686-91 (2011) Article DOI: 10.1021/np2005083 BindingDB Entry DOI: 10.7270/Q2GM87P2
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50321556 (8-hydroxy-5,10-dimethoxy-2-propyl-4H-benzo[h]chrom...) Show SMILES CCCc1cc(=O)c2c(OC)cc3cc(O)cc(OC)c3c2o1 Show InChI InChI=1S/C18H18O5/c1-4-5-12-9-13(20)17-14(21-2)7-10-6-11(19)8-15(22-3)16(10)18(17)23-12/h6-9,19H,4-5H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells				Bioorg Med Chem Lett 20: 3848-50 (2010) Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50352479 (CHEMBL1823867) Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CSC(=N2)[C@@H](C)NC(=O)[C@@H]2CSC(=N2)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC1=O |r,c:23,34| Show InChI InChI=1S/C59H77N9O9S2/c1-34(2)48-52(71)60-37(6)36(5)59(76)77-47(31-41-25-18-13-19-26-41)57(74)67(10)49(35(3)4)58(75)68-28-20-27-44(68)56(73)66(9)46(30-40-23-16-12-17-24-40)54-62-42(32-79-54)50(69)61-38(7)53-63-43(33-78-53)55(72)65(8)45(51(70)64-48)29-39-21-14-11-15-22-39/h11-19,21-26,34-38,42-49H,20,27-33H2,1-10H3,(H,60,71)(H,61,69)(H,64,70)/t36-,37-,38-,42+,43+,44+,45-,46-,47+,48-,49+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of AP1 expressed in HEK293T cells coexpressing beta-lactamase pre-incubated 1 hr before TPA addition measured 18 hrs post TPA challenge by...				J Nat Prod 74: 1686-91 (2011) Article DOI: 10.1021/np2005083 BindingDB Entry DOI: 10.7270/Q2GM87P2
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478416 (CHEBI:65536 | CHEMBL444821) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])nc2ccccc12 Show InChI InChI=1S/C19H23NO2/c1-13(2)9-10-16-18(22-12-11-14(3)4)15-7-5-6-8-17(15)20-19(16)21/h5-9,11H,10,12H2,1-4H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				J Nat Prod 59: 469-71 (1996) Article DOI: 10.1021/np960250m BindingDB Entry DOI: 10.7270/Q2XK8J9J
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50312636 ((-)-Makaluvamine F | CHEMBL509890 | Makaluvamine F) Show SMILES Oc1cc2SC(Cc2cc1Br)NC1=CC2=NCCc3c[nH]c(c23)C1=O |t:14,16| Show InChI InChI=1S/C18H14BrN3O2S/c19-10-3-9-4-15(25-14(9)6-13(10)23)22-12-5-11-16-8(1-2-20-11)7-21-17(16)18(12)24/h3,5-7,15,21-23H,1-2,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...				J Nat Prod 79: 1267-75 (2016) Article DOI: 10.1021/acs.jnatprod.5b00846 BindingDB Entry DOI: 10.7270/Q2H9975X
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50221718 (CHEMBL400538 | comaparvin) Show SMILES CCCc1cc(=O)c2c(O)cc3cc(O)cc(OC)c3c2o1 Show InChI InChI=1S/C17H16O5/c1-3-4-11-8-13(20)16-12(19)6-9-5-10(18)7-14(21-2)15(9)17(16)22-11/h5-8,18-19H,3-4H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells				Bioorg Med Chem Lett 20: 3848-50 (2010) Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50321557 (5,8-dihydroxy-6,10-dimethoxy-2-methyl-4H-benzo[h]c...) Show SMILES COc1cc(O)cc2c(OC)c(O)c3c(oc(C)cc3=O)c12 Show InChI InChI=1S/C16H14O6/c1-7-4-10(18)13-14(19)15(21-3)9-5-8(17)6-11(20-2)12(9)16(13)22-7/h4-6,17,19H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells				Bioorg Med Chem Lett 20: 3848-50 (2010) Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478415 (Buchapine | CHEBI:65535) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]C1([#6](=O)-[#7]-c2ccccc2-[#6]1=O)C([#6])([#6])[#6]=[#6] Show InChI InChI=1S/C19H23NO2/c1-6-18(4,5)19(12-11-13(2)3)16(21)14-9-7-8-10-15(14)20-17(19)22/h6-11H,1,12H2,2-5H3,(H,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				J Nat Prod 59: 469-71 (1996) Article DOI: 10.1021/np960250m BindingDB Entry DOI: 10.7270/Q2XK8J9J
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50242177 (5,8-dihydroxy-10-methoxy-2-methyl-4H-benzo[h]chrom...) Show SMILES COc1cc(O)cc2cc(O)c3c(oc(C)cc3=O)c12 Show InChI InChI=1S/C15H12O5/c1-7-3-10(17)14-11(18)5-8-4-9(16)6-12(19-2)13(8)15(14)20-7/h3-6,16,18H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells				Bioorg Med Chem Lett 20: 3848-50 (2010) Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50321555 (6-methoxycomaparvin 5-methyl ether | CHEMBL256967) Show SMILES CCCc1cc(=O)c2c(OC)c(OC)c3cc(O)cc(OC)c3c2o1 Show InChI InChI=1S/C19H20O6/c1-5-6-11-9-13(21)16-18(25-11)15-12(17(23-3)19(16)24-4)7-10(20)8-14(15)22-2/h7-9,20H,5-6H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells				Bioorg Med Chem Lett 20: 3848-50 (2010) Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50321558 (6-methoxycomaparvin | CHEMBL401565) Show SMILES CCCc1cc(=O)c2c(O)c(OC)c3cc(O)cc(OC)c3c2o1 Show InChI InChI=1S/C18H18O6/c1-4-5-10-8-12(20)15-16(21)17(23-3)11-6-9(19)7-13(22-2)14(11)18(15)24-10/h6-8,19,21H,4-5H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells				Bioorg Med Chem Lett 20: 3848-50 (2010) Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50190660 (CHEMBL3920971) Show SMILES O[C@H]1C(Br)=C[C@@]2(CCNC3=C2C2=NCCc4c[nH]c(c24)C3=O)C=C1Br |r,wU:5.4,wD:1.0,c:3,9,26,t:12,(13.65,-19.56,;13.66,-18.02,;15,-17.26,;16.39,-18.07,;15.01,-15.71,;13.68,-14.94,;15.02,-14.18,;15.03,-12.65,;13.7,-11.71,;12.36,-12.63,;12.36,-14.17,;11.05,-14.94,;11.05,-16.46,;9.72,-17.22,;8.25,-16.33,;8.24,-14.65,;7.33,-13.4,;8.2,-12.02,;9.71,-12.62,;9.71,-14.17,;11.05,-11.85,;11.05,-10.31,;12.34,-15.7,;12.34,-17.23,;11.01,-17.99,)| Show InChI InChI=1S/C18H15Br2N3O2/c19-9-5-18(6-10(20)16(9)24)2-4-22-15-12(18)13-11-8(1-3-21-13)7-23-14(11)17(15)25/h5-7,16,22-24H,1-4H2/t16-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...				J Nat Prod 79: 1267-75 (2016) Article DOI: 10.1021/acs.jnatprod.5b00846 BindingDB Entry DOI: 10.7270/Q2H9975X
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50273917 (CHEMBL462089 | Isolissoclinotoxin B) Show SMILES COc1cc(CCN(C)C)c2SSSSSc2c1O Show InChI InChI=1S/C11H15NO2S5/c1-12(2)5-4-7-6-8(14-3)9(13)11-10(7)15-17-19-18-16-11/h6,13H,4-5H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay				Bioorg Med Chem 16: 10022-8 (2008) Article DOI: 10.1016/j.bmc.2008.10.024 BindingDB Entry DOI: 10.7270/Q2RB74F1
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50273972 (CHEMBL461462 | Lissoclinidine B) Show SMILES NCCc1c2SCOc2c2[nH]ccc3c4ccccc4nc1c23 Show InChI InChI=1S/C18H15N3OS/c19-7-5-12-15-14-11(10-3-1-2-4-13(10)21-15)6-8-20-16(14)17-18(12)23-9-22-17/h1-4,6,8,20H,5,7,9,19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay				Bioorg Med Chem 16: 10022-8 (2008) Article DOI: 10.1016/j.bmc.2008.10.024 BindingDB Entry DOI: 10.7270/Q2RB74F1
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50190658 (CHEMBL3938903) Show SMILES BrC1=C[C@]2(CCNC3=C2C2=NCCc4c[nH]c(c24)C3=O)C(SSC2=CC(=O)C(Br)=C[C@]22CCNC3=C2C2=NCCc4c[nH]c(c24)C3=O)=CC1=O |r,c:7,32,39,55,t:1,10,27,42| Show InChI InChI=1S/C36H26Br2N6O4S2/c37-17-11-35(3-7-41-31-25(35)27-23-15(1-5-39-27)13-43-29(23)33(31)47)21(9-19(17)45)49-50-22-10-20(46)18(38)12-36(22)4-8-42-32-26(36)28-24-16(2-6-40-28)14-44-30(24)34(32)48/h9-14,41-44H,1-8H2/t35-,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...				J Nat Prod 79: 1267-75 (2016) Article DOI: 10.1021/acs.jnatprod.5b00846 BindingDB Entry DOI: 10.7270/Q2H9975X
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50273919 (CHEMBL513108 | Diplamine B) Show SMILES CSc1c(O)c2nccc3c4ccccc4[nH]c(c1CC=N)c23 Show InChI InChI=1S/C18H15N3OS/c1-23-18-12(6-8-19)15-14-11(7-9-20-16(14)17(18)22)10-4-2-3-5-13(10)21-15/h2-5,7-9,19,21-22H,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay				Bioorg Med Chem 16: 10022-8 (2008) Article DOI: 10.1016/j.bmc.2008.10.024 BindingDB Entry DOI: 10.7270/Q2RB74F1
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50273918 (CHEMBL462090 | N,N-dimethyl-5-methylvaracin) Show SMILES COc1c(C)c(CCN(C)C)c2SSSSSc2c1OC Show InChI InChI=1S/C13H19NO2S5/c1-8-9(6-7-14(2)3)12-13(18-20-21-19-17-12)11(16-5)10(8)15-4/h6-7H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay				Bioorg Med Chem 16: 10022-8 (2008) Article DOI: 10.1016/j.bmc.2008.10.024 BindingDB Entry DOI: 10.7270/Q2RB74F1
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50240848 (2-(3,4-Dimethoxy-5,6,7,8,9-pentathia-benzocyclohep...) Show SMILES COc1cc(CCN)c2SSSSSc2c1OC Show InChI InChI=1S/C10H13NO2S5/c1-12-7-5-6(3-4-11)9-10(8(7)13-2)15-17-18-16-14-9/h5H,3-4,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay				Bioorg Med Chem 16: 10022-8 (2008) Article DOI: 10.1016/j.bmc.2008.10.024 BindingDB Entry DOI: 10.7270/Q2RB74F1
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50240865 ((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15| Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398328 (CHEMBL2177348) Show SMILES COC1=C(C)C(=O)C2=C(C(COC(=O)C(\C)=C/C)N(C=O)C=C2)C1=O |c:2,21,t:7| Show InChI InChI=1S/C18H19NO6/c1-5-10(2)18(23)25-8-13-14-12(6-7-19(13)9-20)15(21)11(3)17(24-4)16(14)22/h5-7,9,13H,8H2,1-4H3/b10-5-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398329 (CHEMBL2177347) Show SMILES C\C=C(\C)C(=O)OC=c1[nH]ccc2c1c(O)c(O)c(=C)c2=O |w:7.6| Show InChI InChI=1S/C16H15NO5/c1-4-8(2)16(21)22-7-11-12-10(5-6-17-11)13(18)9(3)14(19)15(12)20/h4-7,17,19-20H,3H2,1-2H3/b8-4-,11-7?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398330 (XESTOQUINONE) Show SMILES C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21 |r,c:19| Show InChI InChI=1S/C20H14O4/c1-20-6-2-3-10-9-24-19(17(10)20)18(23)13-7-11-12(8-14(13)20)16(22)5-4-15(11)21/h4-5,7-9H,2-3,6H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398331 (MIMOSAMYCIN) Show SMILES COC1=C(C)C(=O)c2cc(=O)n(C)c(C)c2C1=O |c:2| Show InChI InChI=1S/C13H13NO4/c1-6-11(16)8-5-9(15)14(3)7(2)10(8)12(17)13(6)18-4/h5H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398327 (VARIOLIN B) Show SMILES Nc1nccc(n1)-c1c2ccnc(N)n2c2nccc(O)c12 Show InChI InChI=1S/C14H11N7O/c15-13-18-4-1-7(20-13)10-8-2-5-19-14(16)21(8)12-11(10)9(22)3-6-17-12/h1-6H,(H2,16,19)(H,17,22)(H2,15,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398326 (CHEMBL2177349) Show SMILES C1[C@@H]2CCCC[C@H]2[C@@H]2\C=C\C=C\[C@@H]3[C@H](C[C@@H]4CCCC[C@@H]34)NCCCN[C@H]12 |r,t:9,11| Show InChI InChI=1S/C25H40N2/c1-3-10-20-18(8-1)16-24-22(20)12-5-6-13-23-21-11-4-2-9-19(21)17-25(23)27-15-7-14-26-24/h5-6,12-13,18-27H,1-4,7-11,14-17H2/b12-5+,13-6+/t18-,19-,20+,21+,22-,23-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398325 (CHEMBL2177350) Show SMILES O[C@H](\C=C\CCCCCCCCCCCCC\C=C/CCCC\C=C/CC\C=C\C#C[C@@H](O)C#CCCCCCC\C=C\[C@H](O)C#C)C#C |r| Show InChI InChI=1S/C46H68O3/c1-3-44(47)40-36-32-28-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-30-34-38-42-46(49)43-39-35-31-27-26-29-33-37-41-45(48)4-2/h1-2,7,9,19,21,30,34,36-37,40-41,44-49H,5-6,8,10-18,20,22-29,31-33,35H2/b9-7-,21-19-,34-30+,40-36+,41-37+/t44-,45+,46+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398324 (CHEMBL510804) Show SMILES CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C=O)[C@@H]2CC=C([C@H](C=O)[C@@]12C)C(C)=O |r,c:25| Show InChI InChI=1S/C28H40O5/c1-17(31)19-8-9-22-26(5)13-10-21-25(3,4)11-7-12-28(21,16-30)23(26)14-24(33-18(2)32)27(22,6)20(19)15-29/h8,15-16,20-24H,7,9-14H2,1-6H3/t20-,21-,22-,23-,24-,26-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398323 (CHEMBL508487) Show SMILES CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)[C@H]([C@@H]4C(=O)O[C@H](C[C@H]21)[C@@]34C)C(C)=O |r| Show InChI InChI=1S/C28H42O6/c1-15(29)22-17(31)12-19-26(5)11-8-18-25(3,4)9-7-10-28(18,14-33-16(2)30)20(26)13-21-27(19,6)23(22)24(32)34-21/h17-23,31H,7-14H2,1-6H3/t17-,18-,19-,20-,21+,22+,23+,26-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50398322 (HETERONEMIN) Show SMILES CC(=O)O[C@@H]1OC=C2[C@H]1[C@@]1(C)[C@H](O)C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C[C@@H]2OC(C)=O |r,c:6| Show InChI InChI=1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,27-,28+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50356012 (AAPTAMINE) Show SMILES COc1cc2ccnc3cc[nH]c(c1OC)c23 Show InChI InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50340946 ((1R,3S,14S)-6,10,14-trimethyl-3-(prop-1-en-2-yl)-1...) Show SMILES CC(=C)[C@H]1C[C@H]2O[C@@]2(C)CCC=C(C)CCC=C(C)C(=O)C1 |r,w:16.16| Show InChI InChI=1S/C20H30O2/c1-14(2)17-12-18(21)16(4)10-6-8-15(3)9-7-11-20(5)19(13-17)22-20/h9-10,17,19H,1,6-8,11-13H2,2-5H3/b15-9+,16-10?/t17-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay				Bioorg Med Chem Lett 21: 2113-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.127 BindingDB Entry DOI: 10.7270/Q27D2VFV
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50340947 ((6R,8S,18R)-3,8,12,16-Tetramethyl-7,18-dioxa-tricy...) Show SMILES CC1=C2CC\C(C)=C\CC[C@]3(C)O[C@@H]3CC\C(C)=C\[C@H]2OC1 |r,c:1,t:6,18| Show InChI InChI=1S/C20H30O2/c1-14-6-5-11-20(4)19(22-20)10-8-15(2)12-18-17(9-7-14)16(3)13-21-18/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.83E+5	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay				Bioorg Med Chem Lett 21: 2113-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.127 BindingDB Entry DOI: 10.7270/Q27D2VFV
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50340951 ((1R,2S)-1-((1R,4aS,8S,11aR)-1-acetoxy-8-hydroperox...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6](-[#6])=O)-[#6]-1=[#6]-[#8]-[#6@H](-[#8]-[#6](-[#6])=O)-[#6@@H]-2-[#6@@H]-1-[#6]-[#6]-[#6](=[#6])-[#6@H](-[#6]-[#6]-[#6]-2=[#6])-[#8]-[#8] |r,t:14| Show InChI InChI=1S/C26H36O9/c1-14(2)12-23(32-17(5)27)25(33-18(6)28)21-13-31-26(34-19(7)29)24-16(4)9-11-22(35-30)15(3)8-10-20(21)24/h12-13,20,22-26,30H,3-4,8-11H2,1-2,5-7H3/t20-,22+,23+,24+,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay				Bioorg Med Chem Lett 21: 2113-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.127 BindingDB Entry DOI: 10.7270/Q27D2VFV
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50340948 ((1E,3E,7R*,8R*,11E)-1-(2-methoxypropan-2-yl)-4,8,1...) Show SMILES COC(C)(C)C1=C/C=C(C)/CC[C@H]2O[C@@]2(C)CC\C=C(C)\CC\1 |r,c:7,19,t:5| Show InChI InChI=1S/C21H34O2/c1-16-8-7-15-21(5)19(23-21)14-11-17(2)10-13-18(12-9-16)20(3,4)22-6/h8,10,13,19H,7,9,11-12,14-15H2,1-6H3/b16-8+,17-10+,18-13+/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay				Bioorg Med Chem Lett 21: 2113-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.127 BindingDB Entry DOI: 10.7270/Q27D2VFV
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50340949 ((1R,2S)-1-((1R,4aS,11aR)-1-acetoxy-7-methyl-11-met...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6](-[#6])=O)-[#6]-1=[#6]-[#8]-[#6@H](-[#8]-[#6](-[#6])=O)-[#6@@H]-2-[#6@@H]-1-[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-2=[#6] |r,c:28,t:14| Show InChI InChI=1S/C26H36O7/c1-15(2)13-23(31-18(5)27)25(32-19(6)28)22-14-30-26(33-20(7)29)24-17(4)10-8-9-16(3)11-12-21(22)24/h9,13-14,21,23-26H,4,8,10-12H2,1-3,5-7H3/b16-9-/t21-,23+,24+,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay				Bioorg Med Chem Lett 21: 2113-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.127 BindingDB Entry DOI: 10.7270/Q27D2VFV
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50340950 ((1R,2S)-1-((1R,4aS,9R,11aR)-1-acetoxy-9-hydroxy-7-...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6](-[#6])=O)-[#6]-1=[#6]-[#8]-[#6@H](-[#8]-[#6](-[#6])=O)-[#6@@H]-2-[#6@@H]-1-[#6]-[#6]\[#6](-[#6])=[#6]/[#6@H](-[#8])-[#6]-[#6]-2=[#6] |r,c:28,t:14| Show InChI InChI=1S/C26H36O8/c1-14(2)10-23(32-17(5)27)25(33-18(6)28)22-13-31-26(34-19(7)29)24-16(4)12-20(30)11-15(3)8-9-21(22)24/h10-11,13,20-21,23-26,30H,4,8-9,12H2,1-3,5-7H3/b15-11-/t20-,21+,23-,24-,25+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay				Bioorg Med Chem Lett 21: 2113-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.127 BindingDB Entry DOI: 10.7270/Q27D2VFV
					More data for this Ligand-Target Pair