Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'van dort' and Initial = 'm'   

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
Androgen receptor (Rattus norvegicus (Rat))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone				J Med Chem 43: 3344-7 (2000) BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM50091401 (4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-5-oxo-2-thioxo...) Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C16H18IN3O2S/c1-16(2)14(22)20(15(23)19(16)7-3-4-8-21)12-6-5-11(10-18)13(17)9-12/h5-6,9,21H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50091401 (4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-5-oxo-2-thioxo...) Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C16H18IN3O2S/c1-16(2)14(22)20(15(23)19(16)7-3-4-8-21)12-6-5-11(10-18)13(17)9-12/h5-6,9,21H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone				J Med Chem 43: 3344-7 (2000) BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM26258 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...) Show SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |c:20| Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM26258 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...) Show SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |c:20| Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM26258 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...) Show SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |c:20| Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone				J Med Chem 43: 3344-7 (2000) BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone				J Med Chem 43: 3344-7 (2000) BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153639 (4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-2,5-dioxo-imid...) Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C16H18IN3O3/c1-16(2)14(22)20(15(23)19(16)7-3-4-8-21)12-6-5-11(10-18)13(17)9-12/h5-6,9,21H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50091400 (4-(3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoi...) Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O2S/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone				J Med Chem 43: 3344-7 (2000) BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50091400 (4-(3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoi...) Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O2S/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153643 (2-Iodo-4-(3,4,4-trimethyl-5-oxo-2-thioxo-imidazoli...) Show SMILES CN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C13H12IN3OS/c1-13(2)11(18)17(12(19)16(13)3)9-5-4-8(7-15)10(14)6-9/h4-6H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM22040 (4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical Center Curated by ChEMBL					Assay Description Binding affinity for peripheral benzodiazepine receptor of rat kidney				J Med Chem 31: 2081-6 (1988) BindingDB Entry DOI: 10.7270/Q2BK1BBK
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153641 (2-Iodo-4-(3,4,4-trimethyl-2,5-dioxo-imidazolidin-1...) Show SMILES CN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C13H12IN3O2/c1-13(2)11(18)17(12(19)16(13)3)9-5-4-8(7-15)10(14)6-9/h4-6H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50019100 (5-(4-Chloro-phenyl)-7-iodo-1-methyl-1,3-dihydro-be...) Show SMILES CN1c2ccc(I)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C16H12ClIN2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical Center Curated by ChEMBL					Assay Description Binding affinity for peripheral benzodiazepine receptor of rat kidney				J Med Chem 31: 2081-6 (1988) BindingDB Entry DOI: 10.7270/Q2BK1BBK
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098980 (4-[3-((E)-3-Iodo-allyl)-4,4-dimethyl-2,5-dioxo-imi...) Show SMILES CC1(C)N(C\C=C\I)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C16H13F3IN3O2/c1-15(2)13(24)23(14(25)22(15)7-3-6-20)11-5-4-10(9-21)12(8-11)16(17,18)19/h3-6,8H,7H2,1-2H3/b6-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50019101 (7-Chloro-5-(4-iodo-phenyl)-1-methyl-1,3-dihydro-be...) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(I)cc1 |c:10| Show InChI InChI=1S/C16H12ClIN2O/c1-20-14-7-4-11(17)8-13(14)16(19-9-15(20)21)10-2-5-12(18)6-3-10/h2-8H,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical Center Curated by ChEMBL					Assay Description Binding affinity for peripheral benzodiazepine receptor of rat kidney				J Med Chem 31: 2081-6 (1988) BindingDB Entry DOI: 10.7270/Q2BK1BBK
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153644 (4-(3-Cyanomethyl-4,4-dimethyl-2,5-dioxo-imidazolid...) Show SMILES CC1(C)N(CC#N)C(=O)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C14H11IN4O2/c1-14(2)12(20)19(13(21)18(14)6-5-16)10-4-3-9(8-17)11(15)7-10/h3-4,7H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM25428 (4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...) Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM25428 (4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...) Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098987 (2-Trifluoromethyl-4-(3,4,4-trimethyl-2,5-dioxo-imi...) Show SMILES CN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C14H12F3N3O2/c1-13(2)11(21)20(12(22)19(13)3)9-5-4-8(7-18)10(6-9)14(15,16)17/h4-6H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153640 (2-Iodo-4-[3-(2-methoxy-ethyl)-4,4-dimethyl-5-oxo-2...) Show SMILES COCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C15H16IN3O2S/c1-15(2)13(20)19(14(22)18(15)6-7-21-3)11-5-4-10(9-17)12(16)8-11/h4-5,8H,6-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153637 (4-(3-Allyl-4,4-dimethyl-2,5-dioxo-imidazolidin-1-y...) Show SMILES CC1(C)N(CC=C)C(=O)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C15H14IN3O2/c1-4-7-18-14(21)19(13(20)15(18,2)3)11-6-5-10(9-17)12(16)8-11/h4-6,8H,1,7H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098988 (4-{3-[3-(4-Iodo-phenyl)-propyl]-4,4-dimethyl-2,5-d...) Show SMILES CC1(C)N(CCCc2ccc(I)cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H19F3IN3O2/c1-21(2)19(30)29(17-10-7-15(13-27)18(12-17)22(23,24)25)20(31)28(21)11-3-4-14-5-8-16(26)9-6-14/h5-10,12H,3-4,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153635 (4-(3-Butyl-4,4-dimethyl-2,5-dioxo-imidazolidin-1-y...) Show SMILES CCCCN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C16H18IN3O2/c1-4-5-8-19-15(22)20(14(21)16(19,2)3)12-7-6-11(10-18)13(17)9-12/h6-7,9H,4-5,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153634 (4-(3-Butyl-4,4-dimethyl-5-oxo-2-thioxo-imidazolidi...) Show SMILES CCCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C16H18IN3OS/c1-4-5-8-19-15(22)20(14(21)16(19,2)3)12-7-6-11(10-18)13(17)9-12/h6-7,9H,4-5,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098982 (4-[3-(2-Methoxy-ethyl)-4,4-dimethyl-2,5-dioxo-imid...) Show SMILES COCCN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C16H16F3N3O3/c1-15(2)13(23)22(14(24)21(15)6-7-25-3)11-5-4-10(9-20)12(8-11)16(17,18)19/h4-5,8H,6-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098981 (4-[3-(3-Iodo-benzyl)-4,4-dimethyl-2,5-dioxo-imidaz...) Show SMILES CC1(C)N(Cc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H15F3IN3O2/c1-19(2)17(28)27(15-7-6-13(10-25)16(9-15)20(21,22)23)18(29)26(19)11-12-4-3-5-14(24)8-12/h3-9H,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098983 (4-[3-(2-Fluoro-ethyl)-4,4-dimethyl-2,5-dioxo-imida...) Show SMILES CC1(C)N(CCF)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H13F4N3O2/c1-14(2)12(23)22(13(24)21(14)6-5-16)10-4-3-9(8-20)11(7-10)15(17,18)19/h3-4,7H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098985 (4-[3-(4-Iodo-benzyl)-4,4-dimethyl-2,5-dioxo-imidaz...) Show SMILES CC1(C)N(Cc2ccc(I)cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H15F3IN3O2/c1-19(2)17(28)27(15-8-5-13(10-25)16(9-15)20(21,22)23)18(29)26(19)11-12-3-6-14(24)7-4-12/h3-9H,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098979 (4-[3-(4-Fluoro-butyl)-4,4-dimethyl-2,5-dioxo-imida...) Show SMILES CC1(C)N(CCCCF)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H17F4N3O2/c1-16(2)14(25)24(15(26)23(16)8-4-3-7-18)12-6-5-11(10-22)13(9-12)17(19,20)21/h5-6,9H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153638 (4-(3-Benzyl-4,4-dimethyl-5-oxo-2-thioxo-imidazolid...) Show SMILES CC1(C)N(Cc2ccccc2)C(=S)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C19H16IN3OS/c1-19(2)17(24)23(15-9-8-14(11-21)16(20)10-15)18(25)22(19)12-13-6-4-3-5-7-13/h3-10H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098978 (4-[3-(3-Fluoro-propyl)-4,4-dimethyl-2,5-dioxo-imid...) Show SMILES CC1(C)N(CCCF)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C16H15F4N3O2/c1-15(2)13(24)23(14(25)22(15)7-3-6-17)11-5-4-10(9-21)12(8-11)16(18,19)20/h4-5,8H,3,6-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	321	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098986 (4-{3-[3-(3-Iodo-phenyl)-propyl]-4,4-dimethyl-2,5-d...) Show SMILES CC1(C)N(CCCc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H19F3IN3O2/c1-21(2)19(30)29(17-9-8-15(13-27)18(12-17)22(23,24)25)20(31)28(21)10-4-6-14-5-3-7-16(26)11-14/h3,5,7-9,11-12H,4,6,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153642 (4-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-iod...) Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C12H10IN3O2/c1-12(2)10(17)16(11(18)15-12)8-4-3-7(6-14)9(13)5-8/h3-5H,1-2H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098984 (4-{3-[2-(4-Iodo-phenyl)-ethyl]-4,4-dimethyl-2,5-di...) Show SMILES CC1(C)N(CCc2ccc(I)cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H17F3IN3O2/c1-20(2)18(29)28(16-8-5-14(12-26)17(11-16)21(22,23)24)19(30)27(20)10-9-13-3-6-15(25)7-4-13/h3-8,11H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50153636 (4-[4,4-Dimethyl-2,5-dioxo-3-(3-phenyl-propyl)-imid...) Show SMILES CC1(C)N(CCCc2ccccc2)C(=O)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C21H20IN3O2/c1-21(2)19(26)25(17-11-10-16(14-23)18(22)13-17)20(27)24(21)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	639	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098977 (4-{3-[2-(3-Iodo-phenyl)-ethyl]-4,4-dimethyl-2,5-di...) Show SMILES CC1(C)N(CCc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H17F3IN3O2/c1-20(2)18(29)28(16-7-6-14(12-26)17(11-16)21(22,23)24)19(30)27(20)9-8-13-4-3-5-15(25)10-13/h3-7,10-11H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	809	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180838 (CHEMBL3818606) Show SMILES NCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H13F3IN3O2/c16-10-3-2-9(15(23)22-24-6-5-20)14(13(10)18)21-12-4-1-8(19)7-11(12)17/h1-4,7,21H,5-6,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00715	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...				J Med Chem 59: 2512-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01655 BindingDB Entry DOI: 10.7270/Q2FB54W9
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180834 (CHEMBL3819302) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1 Show InChI InChI=1S/C40H44F5IN10O6/c41-28-7-6-27(34(33(28)43)47-30-8-5-26(46)25-29(30)42)37(57)52-62-24-23-61-22-21-60-20-19-59-16-13-53-9-11-54(12-10-53)38-49-39(55-14-17-58-18-15-55)51-40(50-38)56-32-4-2-1-3-31(32)48-36(56)35(44)45/h1-8,25,35,47H,9-24H2,(H,52,57)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...				J Med Chem 59: 2512-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01655 BindingDB Entry DOI: 10.7270/Q2FB54W9
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180836 (CHEMBL3818677) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCCCCNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1 Show InChI InChI=1S/C40H43F5IN11O4/c41-27-11-10-26(34(33(27)43)48-29-12-9-25(46)24-28(29)42)37(59)53-61-21-14-47-13-5-1-2-8-32(58)54-15-17-55(18-16-54)38-50-39(56-19-22-60-23-20-56)52-40(51-38)57-31-7-4-3-6-30(31)49-36(57)35(44)45/h3-4,6-7,9-12,24,35,47-48H,1-2,5,8,13-23H2,(H,53,59)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...				J Med Chem 59: 2512-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01655 BindingDB Entry DOI: 10.7270/Q2FB54W9
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Mus musculus)	BDBM104963 (CHEMBL507361 | US11147816, PD0325901 | US11701360,...) Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of MEK1 in mouse colon 26 cells assessed as reduction in ERK1/2 phosphorylation after 1 hr by Western blot analysis				ACS Med Chem Lett 8: 808-813 (2017) Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180837 (CHEMBL3819622) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCCCCNC(=O)CNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1 Show InChI InChI=1S/C42H46F5IN12O5/c43-28-11-10-27(36(35(28)45)51-30-12-9-26(48)24-29(30)44)39(63)56-65-21-14-49-25-33(61)50-13-5-1-2-8-34(62)57-15-17-58(18-16-57)40-53-41(59-19-22-64-23-20-59)55-42(54-40)60-32-7-4-3-6-31(32)52-38(60)37(46)47/h3-4,6-7,9-12,24,37,49,51H,1-2,5,8,13-23,25H2,(H,50,61)(H,56,63)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...				J Med Chem 59: 2512-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01655 BindingDB Entry DOI: 10.7270/Q2FB54W9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434806 (2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of PI3K alpha (unknown origin)				ACS Med Chem Lett 8: 808-813 (2017) Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50204093 (BAY 80-6946 | BAY-80-6946 | Copanlisib) Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of PI3K alpha (unknown origin)				ACS Med Chem Lett 8: 808-813 (2017) Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50204093 (BAY 80-6946 | BAY-80-6946 | Copanlisib) Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of PI3K delta (unknown origin)				ACS Med Chem Lett 8: 808-813 (2017) Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50434806 (2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of PI3K delta (unknown origin)				ACS Med Chem Lett 8: 808-813 (2017) Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50271206 (CHEMBL4127267) Show SMILES NOCCOCCOCCOCCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C28H39F2N9O6/c29-24(30)25-32-21-3-1-2-4-22(21)39(25)28-34-26(33-27(35-28)38-10-13-42-14-11-38)37-8-6-36(7-9-37)23(40)5-12-41-15-16-43-17-18-44-19-20-45-31/h1-4,24H,5-20,31H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F...				ACS Med Chem Lett 8: 808-813 (2017) Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50021809 ((2,6-Dichloro-4-iodo-phenyl)-(4,5-dihydro-1H-imida...) Show SMILES Clc1cc(I)cc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes				J Med Chem 30: 1241-4 (1987) BindingDB Entry DOI: 10.7270/Q2JM2CWR
					More data for this Ligand-Target Pair

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