Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'shadrick' and Initial = 'wr'   

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
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452557 (CHEMBL4206677 | US11028051, Cmpd 55) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r| Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-9-13(3)23(14(4)24)19-6-5-15(10-17(18)19)16-7-8-21-11-16/h5-8,10-13,18,21H,9H2,1-4H3,(H,22,25)/t13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452551 (CHEMBL4209110 | US11028051, Cmpd 50) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r| Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452552 (CHEMBL4205876 | US11028051, Cmpd 52) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452556 (CHEMBL4210405 | US11028051, Cmpd 53) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-26-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452553 (CHEMBL4202664 | US11028051, Cmpd 54) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1 |r| Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452553 (CHEMBL4202664 | US11028051, Cmpd 54) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1 |r| Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452552 (CHEMBL4205876 | US11028051, Cmpd 52) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190582 (CHEMBL3827911) Show SMILES COc1cc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)nc(OC)n1 Show InChI InChI=1S/C19H19N9O5S/c1-32-14-7-13(24-19(25-14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-8-11-9-22-16-15(23-11)17(29)27-18(20)26-16/h3-7,9,21H,8H2,1-2H3,(H,24,25,28)(H3,20,22,26,27,29)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452554 (CHEMBL4207106 | US11028051, Cmpd 51) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1 |r| Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-25-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452551 (CHEMBL4209110 | US11028051, Cmpd 50) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r| Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452557 (CHEMBL4206677 | US11028051, Cmpd 55) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r| Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-9-13(3)23(14(4)24)19-6-5-15(10-17(18)19)16-7-8-21-11-16/h5-8,10-13,18,21H,9H2,1-4H3,(H,22,25)/t13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190581 (CHEMBL3828161) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)S(=O)(=O)Nc3ccccn3)nc2c(=O)[nH]1 Show InChI InChI=1S/C18H16N8O3S/c19-18-24-16-15(17(27)25-18)23-12(10-22-16)9-21-11-4-6-13(7-5-11)30(28,29)26-14-3-1-2-8-20-14/h1-8,10,21H,9H2,(H,20,26)(H3,19,22,24,25,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190578 (CHEMBL3827297) Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)no1 Show InChI InChI=1S/C17H16N8O4S/c1-9-6-13(24-29-9)25-30(27,28)12-4-2-10(3-5-12)19-7-11-8-20-15-14(21-11)16(26)23-17(18)22-15/h2-6,8,19H,7H2,1H3,(H,24,25)(H3,18,20,22,23,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452556 (CHEMBL4210405 | US11028051, Cmpd 53) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-26-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452554 (CHEMBL4207106 | US11028051, Cmpd 51) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1 |r| Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-25-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145438 (CHEMBL3764124) Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2ccc3ccccc3c2)[C@]11CCC(=O)C=C1 |r,c:29,t:3| Show InChI InChI=1S/C24H26O3S/c1-17(2)23-10-8-20(24(23)13-11-21(25)12-14-24)16-28(26,27)22-9-7-18-5-3-4-6-19(18)15-22/h3-7,9-11,13,15,17,20H,8,12,14,16H2,1-2H3/t20-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190579 (CHEMBL3828532) Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)c1C Show InChI InChI=1S/C18H18N8O4S/c1-9-10(2)25-30-17(9)26-31(28,29)13-5-3-11(4-6-13)20-7-12-8-21-15-14(22-12)16(27)24-18(19)23-15/h3-6,8,20,26H,7H2,1-2H3,(H3,19,21,23,24,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190580 (CHEMBL3828019) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)S(=O)(=O)Nc3ncccn3)nc2c(=O)[nH]1 Show InChI InChI=1S/C17H15N9O3S/c18-16-24-14-13(15(27)25-16)23-11(9-22-14)8-21-10-2-4-12(5-3-10)30(28,29)26-17-19-6-1-7-20-17/h1-7,9,21H,8H2,(H,19,20,26)(H3,18,22,24,25,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190584 (CHEMBL3828105) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1 Show InChI InChI=1S/C19H17N7O3S/c20-11-1-5-14(6-2-11)30(28,29)15-7-3-12(4-8-15)22-9-13-10-23-17-16(24-13)18(27)26-19(21)25-17/h1-8,10,22H,9,20H2,(H3,21,23,25,26,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190583 (CHEMBL3827459) Show SMILES COc1ncnc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)c1OC Show InChI InChI=1S/C19H19N9O5S/c1-32-14-16(23-9-24-18(14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-7-11-8-22-15-13(25-11)17(29)27-19(20)26-15/h3-6,8-9,21H,7H2,1-2H3,(H,23,24,28)(H3,20,22,26,27,29)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190583 (CHEMBL3827459) Show SMILES COc1ncnc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)c1OC Show InChI InChI=1S/C19H19N9O5S/c1-32-14-16(23-9-24-18(14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-7-11-8-22-15-13(25-11)17(29)27-19(20)26-15/h3-6,8-9,21H,7H2,1-2H3,(H,23,24,28)(H3,20,22,26,27,29)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190585 (CHEMBL3828540) Show SMILES CC(=O)NS(=O)(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1 Show InChI InChI=1S/C15H15N7O4S/c1-8(23)22-27(25,26)11-4-2-9(3-5-11)17-6-10-7-18-13-12(19-10)14(24)21-15(16)20-13/h2-5,7,17H,6H2,1H3,(H,22,23)(H3,16,18,20,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190584 (CHEMBL3828105) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1 Show InChI InChI=1S/C19H17N7O3S/c20-11-1-5-14(6-2-11)30(28,29)15-7-3-12(4-8-15)22-9-13-10-23-17-16(24-13)18(27)26-19(21)25-17/h1-8,10,22H,9,20H2,(H3,21,23,25,26,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145444 (CHEMBL3763187) Show SMILES [#6]-[#6](-[#6])-[#6]1=[#6]-[#6]-[#6@H](-[#6](=O)-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@]11[#6]-[#6]-[#6](=O)-[#6]=[#6]1 |r,c:26,t:3| Show InChI InChI=1S/C24H35NO2/c1-17(2)7-6-8-19(5)13-16-25-23(27)22-10-9-21(18(3)4)24(22)14-11-20(26)12-15-24/h7,9,11,13-14,18,22H,6,8,10,12,15-16H2,1-5H3,(H,25,27)/b19-13+/t22-,24-/m1/s1	PDB MMDB 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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190585 (CHEMBL3828540) Show SMILES CC(=O)NS(=O)(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1 Show InChI InChI=1S/C15H15N7O4S/c1-8(23)22-27(25,26)11-4-2-9(3-5-11)17-6-10-7-18-13-12(19-10)14(24)21-15(16)20-13/h2-5,7,17H,6H2,1H3,(H,22,23)(H3,16,18,20,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190580 (CHEMBL3828019) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)S(=O)(=O)Nc3ncccn3)nc2c(=O)[nH]1 Show InChI InChI=1S/C17H15N9O3S/c18-16-24-14-13(15(27)25-16)23-11(9-22-14)8-21-10-2-4-12(5-3-10)30(28,29)26-17-19-6-1-7-20-17/h1-7,9,21H,8H2,(H,19,20,26)(H3,18,22,24,25,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190578 (CHEMBL3827297) Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)no1 Show InChI InChI=1S/C17H16N8O4S/c1-9-6-13(24-29-9)25-30(27,28)12-4-2-10(3-5-12)19-7-11-8-20-15-14(21-11)16(26)23-17(18)22-15/h2-6,8,19H,7H2,1H3,(H,24,25)(H3,18,20,22,23,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190579 (CHEMBL3828532) Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)c1C Show InChI InChI=1S/C18H18N8O4S/c1-9-10(2)25-30-17(9)26-31(28,29)13-5-3-11(4-6-13)20-7-12-8-21-15-14(22-12)16(27)24-18(19)23-15/h3-6,8,20,26H,7H2,1-2H3,(H3,19,21,23,24,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190582 (CHEMBL3827911) Show SMILES COc1cc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)nc(OC)n1 Show InChI InChI=1S/C19H19N9O5S/c1-32-14-7-13(24-19(25-14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-8-11-9-22-16-15(23-11)17(29)27-18(20)26-16/h3-7,9,21H,8H2,1-2H3,(H,24,25,28)(H3,20,22,26,27,29)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145448 (CHEMBL3764520) Show SMILES CCn1c2ccccc2c2nnc(SC[C@H]3CC=C(C(C)C)[C@@]33CCC(=O)C=C3)nc12 |r,c:29,t:18| Show InChI InChI=1S/C25H28N4OS/c1-4-29-21-8-6-5-7-19(21)22-23(29)26-24(28-27-22)31-15-17-9-10-20(16(2)3)25(17)13-11-18(30)12-14-25/h5-8,10-11,13,16-17H,4,9,12,14-15H2,1-3H3/t17-,25+/m1/s1	PDB MMDB 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	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
Dihydropteroate synthase (Bacillus anthracis)	BDBM50190581 (CHEMBL3828161) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)S(=O)(=O)Nc3ccccn3)nc2c(=O)[nH]1 Show InChI InChI=1S/C18H16N8O3S/c19-18-24-16-15(17(27)25-18)23-12(10-22-16)9-21-11-4-6-13(7-5-11)30(28,29)26-14-3-1-2-8-20-14/h1-8,10,21H,9H2,(H,20,26)(H3,19,22,24,25,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...				Bioorg Med Chem Lett 26: 3950-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.006 BindingDB Entry DOI: 10.7270/Q2P2712G
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145436 (CHEMBL3763512) Show SMILES CCn1c2ccccc2c2nnc(nc12)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:35,t:24| Show InChI InChI=1S/C25H28N4O3S/c1-4-29-21-8-6-5-7-19(21)22-23(29)26-24(28-27-22)33(31,32)15-17-9-10-20(16(2)3)25(17)13-11-18(30)12-14-25/h5-8,10-11,13,16-17H,4,9,12,14-15H2,1-3H3/t17-,25+/m1/s1	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	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145442 (CHEMBL3765140) Show SMILES CC(C)C1=CC[C@H](C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)[C@]11CCC(=O)C=C1 |r,c:31,t:3,TLB:19:14:21:18.17.20,19:18:21:15.14.13,THB:13:14:17:21.12.20,13:12:15.14.19:17,10:12:15.14.19:17| Show InChI InChI=1S/C26H37NO2/c1-16(2)22-4-5-23(26(22)8-6-21(28)7-9-26)24(29)27-17(3)25-13-18-10-19(14-25)12-20(11-18)15-25/h4,6,8,16-20,23H,5,7,9-15H2,1-3H3,(H,27,29)/t17?,18?,19?,20?,23-,25?,26-/m1/s1	PDB MMDB 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	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145443 (CHEMBL3765321) Show SMILES CC(C)C1=CC[C@H](C(=O)NCC2CCC3CC2C3(C)C)[C@]11CCC(=O)C=C1 |r,c:28,t:3,TLB:10:11:17:15| Show InChI InChI=1S/C24H35NO2/c1-15(2)19-7-8-20(24(19)11-9-18(26)10-12-24)22(27)25-14-16-5-6-17-13-21(16)23(17,3)4/h7,9,11,15-17,20-21H,5-6,8,10,12-14H2,1-4H3,(H,25,27)/t16?,17?,20-,21?,24-/m1/s1	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	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145435 (CHEMBL3765510) Show SMILES CCCCCCSc1nnc(s1)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:30,t:19| Show InChI InChI=1S/C22H32N2O3S3/c1-4-5-6-7-14-28-20-23-24-21(29-20)30(26,27)15-17-8-9-19(16(2)3)22(17)12-10-18(25)11-13-22/h9-10,12,16-17H,4-8,11,13-15H2,1-3H3/t17-,22+/m1/s1	PDB MMDB 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	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145439 (CHEMBL3764221) Show SMILES CC(C)C1=CC[C@H](C(=O)Nc2ncc(s2)-c2ccc(Cl)cc2)[C@]11CCC(=O)C=C1 |r,c:30,t:3| Show InChI InChI=1S/C23H23ClN2O2S/c1-14(2)18-7-8-19(23(18)11-9-17(27)10-12-23)21(28)26-22-25-13-20(29-22)15-3-5-16(24)6-4-15/h3-7,9,11,13-14,19H,8,10,12H2,1-2H3,(H,25,26,28)/t19-,23-/m1/s1	PDB MMDB 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	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145437 (CHEMBL3763813) Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nnnn2-c2ccccc2)[C@]11CCC(=O)C=C1 |r,c:30,t:3| Show InChI InChI=1S/C21H24N4O3S/c1-15(2)19-9-8-16(21(19)12-10-18(26)11-13-21)14-29(27,28)20-22-23-24-25(20)17-6-4-3-5-7-17/h3-7,9-10,12,15-16H,8,11,13-14H2,1-2H3/t16-,21+/m1/s1	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	2.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145429 (CHEMBL3763599) Show SMILES CC(C)C1=CC[C@H](CN2C(=O)c3ccccc3S2(=O)=O)[C@]11CCC(=O)C=C1 |r,c:28,t:3| Show InChI InChI=1S/C21H23NO4S/c1-14(2)18-8-7-15(21(18)11-9-16(23)10-12-21)13-22-20(24)17-5-3-4-6-19(17)27(22,25)26/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1	PDB MMDB 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	3.41E+5	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145428 (CHEMBL3764299) Show SMILES CC(C)C1=CC[C@H](Cn2cc(CN(c3ncccn3)S(=O)(=O)c3ccc(N)cc3)nn2)[C@]11CCC(=O)C=C1 |r,c:40,t:3| Show InChI InChI=1S/C27H31N7O3S/c1-19(2)25-9-4-20(27(25)12-10-23(35)11-13-27)16-33-17-22(31-32-33)18-34(26-29-14-3-15-30-26)38(36,37)24-7-5-21(28)6-8-24/h3,5-10,12,14-15,17,19-20H,4,11,13,16,18,28H2,1-2H3/t20-,27+/m1/s1	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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145430 (CHEMBL3765656) Show SMILES CC(C)C1=CC[C@H](CN2C(=O)c3ccccc3C2=O)[C@]11CCC(=O)C=C1 |r,c:27,t:3| Show InChI InChI=1S/C22H23NO3/c1-14(2)19-8-7-15(22(19)11-9-16(24)10-12-22)13-23-20(25)17-5-3-4-6-18(17)21(23)26/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,22+/m1/s1	PDB MMDB 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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145431 (CHEMBL3764151) Show SMILES CC(C)C1=CC[C@H](Cn2cc(CNC(=O)OC(C)(C)C)nn2)[C@]11CCC(=O)C=C1 |r,c:29,t:3| Show InChI InChI=1S/C22H32N4O3/c1-15(2)19-7-6-16(22(19)10-8-18(27)9-11-22)13-26-14-17(24-25-26)12-23-20(28)29-21(3,4)5/h7-8,10,14-16H,6,9,11-13H2,1-5H3,(H,23,28)/t16-,22+/m1/s1	PDB MMDB 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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50145432 (CHEMBL3764563) Show SMILES COc1ccc(cc1)S(=O)(=O)NCc1cn(C[C@H]2CC=C(C(C)C)[C@@]22CCC(=O)C=C2)nn1 |r,c:31,t:20| Show InChI InChI=1S/C24H30N4O4S/c1-17(2)23-9-4-18(24(23)12-10-20(29)11-13-24)15-28-16-19(26-27-28)14-25-33(30,31)22-7-5-21(32-3)6-8-22/h5-10,12,16-18,25H,4,11,13-15H2,1-3H3/t18-,24+/m1/s1	PDB MMDB 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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50145433 (CHEMBL3764356) Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3s2)[C@]11CCC(=O)C=C1 |r,c:28,t:3| Show InChI InChI=1S/C21H23NO3S2/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-27(24,25)20-22-18-5-3-4-6-19(18)26-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50145434 (CHEMBL3763513) Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3o2)[C@]11CCC(=O)C=C1 |r,c:28,t:3| Show InChI InChI=1S/C21H23NO4S/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-27(24,25)20-22-18-5-3-4-6-19(18)26-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50145438 (CHEMBL3764124) Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2ccc3ccccc3c2)[C@]11CCC(=O)C=C1 |r,c:29,t:3| Show InChI InChI=1S/C24H26O3S/c1-17(2)23-10-8-20(24(23)13-11-21(25)12-14-24)16-28(26,27)22-9-7-18-5-3-4-6-19(18)15-22/h3-7,9-11,13,15,17,20H,8,12,14,16H2,1-2H3/t20-,24+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50145439 (CHEMBL3764221) Show SMILES CC(C)C1=CC[C@H](C(=O)Nc2ncc(s2)-c2ccc(Cl)cc2)[C@]11CCC(=O)C=C1 |r,c:30,t:3| Show InChI InChI=1S/C23H23ClN2O2S/c1-14(2)18-7-8-19(23(18)11-9-17(27)10-12-23)21(28)26-22-25-13-20(29-22)15-3-5-16(24)6-4-15/h3-7,9,11,13-14,19H,8,10,12H2,1-2H3,(H,25,26,28)/t19-,23-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...				Eur J Med Chem 110: 126-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.027 BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 162 total )  |  Next  |  Last  >>

Jump to: