Compile Data Set for Download or QSAR

Found 1275 hits with Last Name = 'yoon' and Initial = 'd'   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110578 (4-Chloro-6-nitro-2-piperazin-1-yl-quinoline | CHEM...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(Cl)c2c1)N1CCNCC1 Show InChI InChI=1S/C13H13ClN4O2/c14-11-8-13(17-5-3-15-4-6-17)16-12-2-1-9(18(19)20)7-10(11)12/h1-2,7-8,15H,3-6H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50063266 (6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...) Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1 Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110584 (3-(3-Fluoro-propyl)-6-nitro-2-piperazin-1-yl-quino...) Show SMILES [O-][N+](=O)c1ccc2nc(N3CCNCC3)c(CCCF)cc2c1 Show InChI InChI=1S/C16H19FN4O2/c17-5-1-2-12-10-13-11-14(21(22)23)3-4-15(13)19-16(12)20-8-6-18-7-9-20/h3-4,10-11,18H,1-2,5-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110574 (4-Bromo-6-nitro-2-piperazin-1-yl-quinoline | CHEMB...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(Br)c2c1)N1CCNCC1 Show InChI InChI=1S/C13H13BrN4O2/c14-11-8-13(17-5-3-15-4-6-17)16-12-2-1-9(18(19)20)7-10(11)12/h1-2,7-8,15H,3-6H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50507371 (BMS-823778) Show SMILES CC(C)(O)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra...				ACS Med Chem Lett 9: 1170-1174 (2018) Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110587 (4-Allyl-6-nitro-2-piperazin-1-yl-quinoline | CHEMB...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(CC=C)c2c1)N1CCNCC1 Show InChI InChI=1S/C16H18N4O2/c1-2-3-12-10-16(19-8-6-17-7-9-19)18-15-5-4-13(20(21)22)11-14(12)15/h2,4-5,10-11,17H,1,3,6-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110585 (4-(4-Bromo-6-nitro-quinolin-2-yl)-piperazine-1-car...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(Br)c2c1)N1CCN(CC1)C=O Show InChI InChI=1S/C14H13BrN4O3/c15-12-8-14(18-5-3-17(9-20)4-6-18)16-13-2-1-10(19(21)22)7-11(12)13/h1-2,7-9H,3-6H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]citalopram binding to the rat cortical Serotonin transporter				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110579 (4-Iodo-6-nitro-2-piperazin-1-yl-quinoline | CHEMBL...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(I)c2c1)N1CCNCC1 Show InChI InChI=1S/C13H13IN4O2/c14-11-8-13(17-5-3-15-4-6-17)16-12-2-1-9(18(19)20)7-10(11)12/h1-2,7-8,15H,3-6H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110583 (6-Nitro-2-piperazin-1-yl-4-vinyl-quinoline | CHEMB...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(C=C)c2c1)N1CCNCC1 Show InChI InChI=1S/C15H16N4O2/c1-2-11-9-15(18-7-5-16-6-8-18)17-14-4-3-12(19(20)21)10-13(11)14/h2-4,9-10,16H,1,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239606 (CHEMBL4080667) Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,18:17:8.9.10:12,17:15:8:10.11.12,17:11:8:14.16.15,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(43.24,-21.55,;43.72,-20.08,;43.03,-18.71,;44.4,-18.01,;45.1,-19.38,;44.88,-16.54,;43.63,-15.64,;46.35,-16.07,;47.49,-17.11,;48.99,-16.68,;48.98,-15.1,;50.02,-13.87,;48.67,-14.34,;48.68,-15.83,;50,-16.32,;51.4,-15.97,;50.4,-17.25,;51.42,-14.44,;52.71,-13.59,;47.48,-18.64,;46.13,-19.39,;46.12,-20.93,;47.44,-21.71,;48.79,-20.95,;48.79,-19.41,)| Show InChI InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13?,14?,16?,17?,20-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110576 (4-Furan-2-yl-6-nitro-2-piperazin-1-yl-quinoline | ...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(-c3ccco3)c2c1)N1CCNCC1 Show InChI InChI=1S/C17H16N4O3/c22-21(23)12-3-4-15-13(10-12)14(16-2-1-9-24-16)11-17(19-15)20-7-5-18-6-8-20/h1-4,9-11,18H,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110575 (6-Nitro-4-phenyl-2-piperazin-1-yl-quinoline | CHEM...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(-c3ccccc3)c2c1)N1CCNCC1 Show InChI InChI=1S/C19H18N4O2/c24-23(25)15-6-7-18-17(12-15)16(14-4-2-1-3-5-14)13-19(21-18)22-10-8-20-9-11-22/h1-7,12-13,20H,8-11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110586 (6-Nitro-2-piperazin-1-yl-4-pyrrolidin-1-yl-quinoli...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(N3CCCC3)c2c1)N1CCNCC1 Show InChI InChI=1S/C17H21N5O2/c23-22(24)13-3-4-15-14(11-13)16(20-7-1-2-8-20)12-17(19-15)21-9-5-18-6-10-21/h3-4,11-12,18H,1-2,5-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110582 (6-Nitro-2-piperazin-1-yl-4-thiophen-2-yl-quinoline...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(-c3cccs3)c2c1)N1CCNCC1 Show InChI InChI=1S/C17H16N4O2S/c22-21(23)12-3-4-15-13(10-12)14(16-2-1-9-24-16)11-17(19-15)20-7-5-18-6-8-20/h1-4,9-11,18H,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110580 (4-Benzyl-6-nitro-2-piperazin-1-yl-quinoline | CHEM...) Show SMILES [O-][N+](=O)c1ccc2nc(cc(Cc3ccccc3)c2c1)N1CCNCC1 Show InChI InChI=1S/C20H20N4O2/c25-24(26)17-6-7-19-18(14-17)16(12-15-4-2-1-3-5-15)13-20(22-19)23-10-8-21-9-11-23/h1-7,13-14,21H,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)				Bioorg Med Chem Lett 12: 811-5 (2002) BindingDB Entry DOI: 10.7270/Q2S46SHN
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	260	-39.1	1.24E+3	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50507371 (BMS-823778) Show SMILES CC(C)(O)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra...				ACS Med Chem Lett 9: 1170-1174 (2018) Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246486 (3,3',5-Trihydroxy-2'-methoxybibenzyl (3)) Show SMILES COc1c(O)cccc1CCc1cc(O)cc(O)c1 Show InChI InChI=1S/C15H16O4/c1-19-15-11(3-2-4-14(15)18)6-5-10-7-12(16)9-13(17)8-10/h2-4,7-9,16-18H,5-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.82E+3	-34.1	8.77E+3	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246500 ((4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-o...) Show SMILES Oc1ccc(CCC(=O)\C=C\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.92E+3	-33.9	9.12E+3	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246501 ((4E,6E)-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxy...) Show SMILES COc1cc(\C=C\C=C\C(=O)CCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C20H20O4/c1-24-20-14-16(9-13-19(20)23)4-2-3-5-17(21)10-6-15-7-11-18(22)12-8-15/h2-5,7-9,11-14,22-23H,6,10H2,1H3/b4-2+,5-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.17E+3	-33.6	1.11E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246493 (3,5-Dimethoxy-2,7-phenanthrenediol (11)) Show SMILES COc1cc2c(ccc3cc(O)cc(OC)c23)cc1O Show InChI InChI=1S/C16H14O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h3-8,17-18H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	2.67E+3	-33.1	1.27E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246485 (Tristin (1)) Show SMILES COc1cc(CCc2cc(O)cc(O)c2)ccc1O Show InChI InChI=1S/C15H16O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h4-9,16-18H,2-3H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.75E+3	-33.0	1.35E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246499 ((1E,4E,6E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatri...) Show SMILES Oc1ccc(\C=C\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C19H16O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-14,21-22H/b3-1+,4-2+,10-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.34E+3	-32.5	1.64E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246496 (2,5-Dihydroxy-7-methoxy-9,10-dihydrophenanthrene (...) Show SMILES COc1cc(O)c-2c(CCc3cc(O)ccc-23)c1 Show InChI InChI=1S/C15H14O3/c1-18-12-7-10-3-2-9-6-11(16)4-5-13(9)15(10)14(17)8-12/h4-8,16-17H,2-3H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	4.96E+3	-31.5	2.51E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246488 (2',4-Dihydroxy-3,5-dihydroxy-4-methoxybibenzyl...) Show SMILES COc1c(O)cc(CCc2ccccc2)cc1O Show InChI InChI=1S/C15H16O3/c1-18-15-13(16)9-12(10-14(15)17)8-7-11-5-3-2-4-6-11/h2-6,9-10,16-17H,7-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.06E+3	-31.4	2.54E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50211956 (2-(3-hydroxy-5-methoxyphenethyl)phenol | Batatasin...) Show SMILES COc1cc(O)cc(CCc2ccccc2O)c1 Show InChI InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	6.28E+3	-30.9	3.01E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM64584 (2',3,5-Trihydroxybibenzyl (2)) Show SMILES Oc1cc(O)cc(CCc2ccccc2O)c1 Show InChI InChI=1S/C14H14O3/c15-12-7-10(8-13(16)9-12)5-6-11-3-1-2-4-14(11)17/h1-4,7-9,15-17H,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.45E+3	-30.8	2.92E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246487 (Batatasin III (4)) Show SMILES COc1cc(O)cc(CCc2cccc(O)c2)c1 Show InChI InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.79E+3	-30.7	3.23E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50131679 (CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...) Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.49E+3	-30.4	3.48E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246495 (Hircinol (13)) Show SMILES COc1cc(O)cc2CCc3cccc(O)c3-c12 Show InChI InChI=1S/C15H14O3/c1-18-13-8-11(16)7-10-6-5-9-3-2-4-12(17)14(9)15(10)13/h2-4,7-8,16-17H,5-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	8.57E+3	-30.1	4.06E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246489 (3,5-Dimethoxy-2'hydroxybibenzyl (7)) Show SMILES COc1cc(CCc2ccccc2O)cc(OC)c1 Show InChI InChI=1S/C16H18O3/c1-18-14-9-12(10-15(11-14)19-2)7-8-13-5-3-4-6-16(13)17/h3-6,9-11,17H,7-8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.28E+3	-29.9	4.41E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM246492 (Batatasin V (10)) Show SMILES COc1cc(CCc2ccccc2O)cc(OC)c1OC Show InChI InChI=1S/C17H20O4/c1-19-15-10-12(11-16(20-2)17(15)21-3)8-9-13-6-4-5-7-14(13)18/h4-7,10-11,18H,8-9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	9.66E+3	-29.8	4.57E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239610 (CHEMBL4073961) Show SMILES Fc1ccc(cc1)C1(CC(=O)N2CCCC2)C2CC3CC(C2)CC1C3 |TLB:24:23:21:17.18.19,8:7:17.24.18:22.20.21,4:7:21:17.18.19,THB:24:18:7.23.22:21,19:18:7:22.20.21,19:20:7:17.24.18,8:7:21:17.18.19,4:7:17.24.18:22.20.21,(23.94,-24.95,;23.96,-23.41,;22.63,-22.62,;22.65,-21.09,;23.99,-20.34,;25.31,-21.11,;25.3,-22.64,;24.01,-18.8,;22.86,-17.77,;21.4,-18.25,;20.15,-17.34,;20.92,-19.71,;19.45,-20.18,;19.45,-21.72,;20.91,-22.2,;21.82,-20.95,;25.21,-17.53,;26.53,-18.01,;27.92,-17.67,;27.94,-16.14,;26.54,-15.56,;25.2,-16.04,;25.5,-16.8,;25.5,-18.39,;26.91,-18.95,)| Show InChI InChI=1S/C22H28FNO/c23-20-5-3-17(4-6-20)22(14-21(25)24-7-1-2-8-24)18-10-15-9-16(12-18)13-19(22)11-15/h3-6,15-16,18-19H,1-2,7-14H2	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50507376 (CHEMBL4453347) Show SMILES CC(C)(CCO)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClN3O/c1-19(2,11-13-25)16-4-3-12-24-17(16)22-23-18(24)20(9-10-20)14-5-7-15(21)8-6-14/h3-8,12,25H,9-11,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra...				ACS Med Chem Lett 9: 1170-1174 (2018) Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239632 (CHEMBL4071232) Show SMILES OCC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:18:17:15:11.12.13,8:9:11.18.12:16.14.15,19:9:15:11.12.13,THB:18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,8:9:15:11.12.13,19:9:11.18.12:16.14.15,(48.51,-12.14,;50.02,-11.82,;50.49,-10.36,;49.8,-8.98,;51.18,-8.28,;51.87,-9.66,;51.66,-6.82,;50.41,-5.91,;53.13,-6.34,;54.27,-7.37,;55.47,-6.1,;56.79,-6.59,;58.18,-6.24,;58.2,-4.71,;56.8,-4.13,;55.46,-4.61,;55.76,-5.37,;55.77,-6.96,;57.18,-7.52,;54.26,-8.91,;52.91,-9.66,;52.9,-11.19,;54.22,-11.98,;54.21,-13.52,;55.57,-11.21,;55.58,-9.68,)| Show InChI InChI=1S/C22H28FNO2/c23-20-3-1-17(2-4-20)22(10-21(26)24-11-16(12-24)13-25)18-6-14-5-15(8-18)9-19(22)7-14/h1-4,14-16,18-19,25H,5-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239628 (CHEMBL4102283) Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)C3O)c1ccc(cc1)-c1ccc(F)cc1 |TLB:12:11:8.13.14:16,7:8:16:10.11.17,19:8:10.12.11:14.15.16,THB:18:17:8.13.14:16,12:13:16:10.11.17,17:11:8:14.15.16,17:15:8:10.12.11,7:8:10.12.11:14.15.16,19:8:16:10.11.17,(5.77,-1.2,;6.92,-2.24,;8.46,-2.16,;8.53,-3.7,;7,-3.78,;9.68,-4.73,;9.36,-6.24,;11.15,-4.26,;12.29,-5.3,;13.49,-4.02,;14.82,-4.5,;16.22,-4.16,;15.2,-5.44,;13.79,-4.87,;13.78,-3.28,;14.83,-2.05,;13.48,-2.53,;16.23,-2.63,;17.52,-1.78,;12.27,-6.84,;10.94,-7.58,;10.92,-9.12,;12.24,-9.91,;13.59,-9.14,;13.6,-7.61,;12.23,-11.45,;10.89,-12.21,;10.87,-13.75,;12.2,-14.54,;12.19,-16.08,;13.55,-13.77,;13.56,-12.23,)| Show InChI InChI=1S/C27H30FNO3/c28-23-7-3-17(4-8-23)16-1-5-20(6-2-16)27(13-25(31)29-14-24(30)15-29)21-9-18-10-22(27)12-19(11-21)26(18)32/h1-8,18-19,21-22,24,26,30,32H,9-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239619 (CHEMBL4087497) Show SMILES COC12CC3CC(C1)C(CC(=O)N1CC(O)C1)(C(C3)C2)c1ccc(F)cc1 |TLB:18:17:7:5.4.3,20:8:5.18.4:19.2.7,20:8:7:5.4.3,THB:18:4:8.17.19:7,3:4:8:19.2.7,3:2:8:5.18.4,1:2:8:5.18.4,9:8:5.18.4:19.2.7,9:8:7:5.4.3,(28.8,-17.02,;27.27,-17.21,;26.66,-18.63,;28.07,-19.21,;28.05,-20.74,;26.65,-21.08,;25.33,-20.59,;25.32,-19.11,;24.13,-21.87,;22.99,-20.84,;21.52,-21.31,;20.27,-20.4,;21.04,-22.78,;19.66,-23.47,;20.36,-24.85,;19.88,-26.32,;21.74,-24.15,;25.63,-21.45,;27.04,-22.02,;25.62,-19.86,;24.12,-23.41,;22.77,-24.16,;22.76,-25.7,;24.08,-26.48,;24.07,-28.02,;25.43,-25.72,;25.44,-24.18,)| Show InChI InChI=1S/C22H28FNO3/c1-27-21-8-14-6-16(9-21)22(17(7-14)10-21,15-2-4-18(23)5-3-15)11-20(26)24-12-19(25)13-24/h2-5,14,16-17,19,25H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239603 (CHEMBL4101370) Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)C3O)c1ccc(cc1)-c1ccncc1 |TLB:12:11:8.13.14:16,7:8:16:10.11.17,19:8:10.12.11:14.15.16,THB:18:17:8.13.14:16,12:13:16:10.11.17,17:11:8:14.15.16,17:15:8:10.12.11,7:8:10.12.11:14.15.16,19:8:16:10.11.17,(5.99,-16.91,;7.14,-17.94,;8.68,-17.86,;8.76,-19.41,;7.22,-19.48,;9.9,-20.44,;9.58,-21.95,;11.37,-19.97,;12.51,-21,;13.72,-19.72,;15.04,-20.22,;16.44,-19.87,;15.43,-21.14,;14.01,-20.58,;14.01,-18.99,;15.05,-17.75,;13.71,-18.23,;16.46,-18.34,;17.75,-17.49,;12.5,-22.54,;11.16,-23.3,;11.14,-24.83,;12.46,-25.61,;13.81,-24.85,;13.82,-23.32,;12.45,-27.16,;11.11,-27.92,;11.09,-29.46,;12.42,-30.24,;13.77,-29.48,;13.78,-27.94,)| Show InChI InChI=1S/C26H30N2O3/c29-23-14-28(15-23)24(30)13-26(21-9-18-10-22(26)12-19(11-21)25(18)31)20-3-1-16(2-4-20)17-5-7-27-8-6-17/h1-8,18-19,21-23,25,29,31H,9-15H2	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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239616 (CHEMBL4078671) Show SMILES COC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:18:17:15:11.12.13,8:9:11.18.12:16.14.15,19:9:15:11.12.13,THB:18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,8:9:15:11.12.13,19:9:11.18.12:16.14.15,(63.87,-11.5,;65.38,-11.19,;65.86,-9.72,;65.16,-8.35,;66.55,-7.65,;67.23,-9.02,;67.02,-6.18,;65.77,-5.27,;68.49,-5.7,;69.64,-6.74,;70.83,-5.46,;72.15,-5.95,;73.55,-5.61,;73.57,-4.08,;72.16,-3.5,;70.82,-3.98,;71.13,-4.74,;71.13,-6.32,;72.54,-6.88,;69.62,-8.28,;68.28,-9.02,;68.26,-10.56,;69.59,-11.34,;69.57,-12.89,;70.92,-10.58,;70.93,-9.05,)| Show InChI InChI=1S/C22H28FNO2/c1-26-20-12-24(13-20)21(25)11-22(16-2-4-19(23)5-3-16)17-7-14-6-15(9-17)10-18(22)8-14/h2-5,14-15,17-18,20H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239614 (CHEMBL4067777) Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:17:16:14:10.11.12,7:8:10.17.11:15.13.14,18:8:14:10.11.12,THB:17:11:8.16.15:14,12:11:8:15.13.14,12:13:8:10.17.11,7:8:14:10.11.12,18:8:10.17.11:15.13.14,(49.46,-25.67,;49.94,-24.2,;49.24,-22.82,;50.62,-22.13,;51.32,-23.5,;51.1,-20.66,;49.85,-19.75,;52.57,-20.18,;53.71,-21.22,;54.91,-19.94,;56.23,-20.43,;57.63,-20.08,;57.65,-18.55,;56.24,-17.97,;54.9,-18.45,;55.2,-19.21,;55.21,-20.8,;56.62,-21.36,;53.69,-22.76,;52.35,-23.51,;52.33,-25.04,;53.66,-25.83,;53.65,-27.37,;55.01,-25.06,;55.01,-23.53,)| Show InChI InChI=1S/C21H26FNO2/c22-18-3-1-15(2-4-18)21(10-20(25)23-11-19(24)12-23)16-6-13-5-14(8-16)9-17(21)7-13/h1-4,13-14,16-17,19,24H,5-12H2	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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239609 (CHEMBL4093016) Show SMILES Fc1ccc(cc1)C1(CC(=O)N2CCC2)C2CC3CC(C2)CC1C3 |TLB:23:22:20:16.17.18,8:7:16.23.17:21.19.20,4:7:20:16.17.18,THB:23:17:7.22.21:20,18:17:7:21.19.20,18:19:7:16.23.17,8:7:20:16.17.18,4:7:16.23.17:21.19.20,(23.9,-12.85,;23.91,-11.3,;22.58,-10.52,;22.6,-8.98,;23.94,-8.23,;25.26,-9,;25.25,-10.54,;23.96,-6.69,;22.81,-5.65,;21.34,-6.13,;20.1,-5.22,;20.86,-7.6,;19.48,-8.3,;20.18,-9.68,;21.56,-8.98,;25.16,-5.41,;26.48,-5.9,;27.88,-5.55,;27.9,-4.02,;26.49,-3.44,;25.15,-3.92,;25.45,-4.68,;25.46,-6.27,;26.87,-6.84,)| Show InChI InChI=1S/C21H26FNO/c22-19-4-2-16(3-5-19)21(13-20(24)23-6-1-7-23)17-9-14-8-15(11-17)12-18(21)10-14/h2-5,14-15,17-18H,1,6-13H2	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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50356439 (CHEMBL1911707) Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c2c1 Show InChI InChI=1S/C17H10ClFN2OS/c18-15-4-2-1-3-10(15)9-23-17-13-7-11(19)5-6-12(13)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)	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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader				Bioorg Med Chem Lett 21: 6693-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.058 BindingDB Entry DOI: 10.7270/Q2FN16M4
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239633 (CHEMBL4102950) Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(F)(C3)C2)c1ccc(F)cc1 |TLB:12:13:18:10.11.17,12:11:8.13.14:18,19:8:10.12.11:14.15.18,19:8:18:10.11.17,THB:17:11:8:14.15.18,17:15:8:10.12.11,16:15:8:10.12.11,7:8:10.12.11:14.15.18,7:8:18:10.11.17,(64.54,-24.64,;65.02,-23.17,;64.31,-21.79,;65.69,-21.1,;66.39,-22.47,;66.18,-19.63,;64.92,-18.71,;67.65,-19.16,;68.79,-20.18,;69.99,-18.91,;71.31,-19.4,;72.71,-19.06,;71.7,-20.34,;70.29,-19.77,;70.28,-18.18,;71.32,-16.94,;71.93,-15.52,;72.73,-17.52,;69.98,-17.42,;68.77,-21.72,;67.43,-22.48,;67.41,-24.02,;68.74,-24.8,;68.72,-26.34,;70.08,-24.04,;70.09,-22.5,)| Show InChI InChI=1S/C21H25F2NO2/c22-17-3-1-14(2-4-17)21(10-19(26)24-11-18(25)12-24)15-5-13-6-16(21)9-20(23,7-13)8-15/h1-4,13,15-16,18,25H,5-12H2	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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239615 (CHEMBL4095204) Show SMILES Fc1ccc(cc1)C1(CC(=O)N2CC(C2)C#N)C2CC3CC(C2)CC1C3 |TLB:25:24:22:18.19.20,8:7:18.25.19:23.21.22,4:7:22:18.19.20,THB:25:19:7.24.23:22,20:19:7:23.21.22,20:21:7:18.25.19,8:7:22:18.19.20,4:7:18.25.19:23.21.22,(54.09,-42.35,;54.11,-40.81,;52.78,-40.02,;52.8,-38.49,;54.14,-37.74,;55.46,-38.51,;55.45,-40.04,;54.16,-36.2,;53.02,-35.16,;51.55,-35.64,;50.3,-34.73,;51.06,-37.11,;49.69,-37.8,;50.39,-39.18,;51.77,-38.48,;49.91,-40.65,;49.43,-42.11,;55.36,-34.92,;56.68,-35.41,;58.08,-35.06,;58.1,-33.53,;56.69,-32.96,;55.35,-33.43,;55.65,-34.19,;55.65,-35.78,;57.07,-36.34,)| Show InChI InChI=1S/C22H25FN2O/c23-20-3-1-17(2-4-20)22(10-21(26)25-12-16(11-24)13-25)18-6-14-5-15(8-18)9-19(22)7-14/h1-4,14-16,18-19H,5-10,12-13H2	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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50445575 (CHEMBL3103523) Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccccc1F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(34.73,-27.29,;33.44,-28.14,;33.42,-29.67,;32.02,-30.02,;30.7,-29.53,;30.69,-28.04,;32.04,-27.56,;30.99,-28.8,;31,-30.39,;32.42,-30.95,;29.5,-30.81,;28.16,-30.01,;26.81,-30.76,;25.32,-30.33,;24.46,-31.61,;25.42,-32.83,;26.87,-32.3,;29.49,-32.35,;28.15,-33.1,;28.14,-34.64,;29.47,-35.42,;30.81,-34.65,;30.81,-33.11,;29.46,-36.96,;28.12,-37.72,;28.11,-39.26,;29.44,-40.04,;30.79,-39.27,;30.79,-37.73,;32.13,-36.96,)| Show InChI InChI=1S/C24H25FN4O/c25-21-4-2-1-3-20(21)14-5-7-17(8-6-14)24(13-22-26-28-29-27-22)18-9-15-10-19(24)12-16(11-18)23(15)30/h1-8,15-16,18-19,23,30H,9-13H2,(H,26,27,28,29)	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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 24: 654-60 (2014) Article DOI: 10.1016/j.bmcl.2013.11.066 BindingDB Entry DOI: 10.7270/Q20Z74RF
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50445576 (CHEMBL3103439) Show SMILES COC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:16:15:7:5.4.3,18:8:5.16.4:17.2.7,18:8:7:5.4.3,1:2:8:5.16.4,THB:16:4:8.15.17:7,3:4:8:17.2.7,3:2:8:5.16.4,9:8:5.16.4:17.2.7,9:8:7:5.4.3,(54.65,3.84,;53.31,3.05,;53.32,1.51,;54.73,.93,;54.71,-.61,;53.31,-.96,;51.99,-.47,;51.98,1.02,;50.79,-1.75,;49.45,-.95,;48.1,-1.7,;46.61,-1.27,;45.75,-2.55,;46.71,-3.77,;48.16,-3.24,;52.29,-1.33,;53.7,-1.89,;52.28,.27,;50.78,-3.28,;49.44,-4.04,;49.43,-5.57,;50.76,-6.35,;52.1,-5.58,;52.1,-4.05,;50.75,-7.89,;49.41,-8.66,;49.4,-10.2,;50.73,-10.98,;52.08,-10.2,;52.08,-8.66,)| Show InChI InChI=1S/C25H28N4O/c1-30-24-13-17-11-21(14-24)25(22(12-17)15-24,16-23-26-28-29-27-23)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,17,21-22H,11-16H2,1H3,(H,26,27,28,29)	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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 24: 654-60 (2014) Article DOI: 10.1016/j.bmcl.2013.11.066 BindingDB Entry DOI: 10.7270/Q20Z74RF
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239621 (CHEMBL4060170) Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C3)(C2)C#N)c1ccc(F)cc1 |TLB:17:15:8.9.10:12,7:8:14.17.15:10.11.12,7:8:12:14.15.16,THB:17:9:12:14.15.16,16:15:8:10.11.12,16:11:8:14.17.15,18:15:8:10.11.12,18:15:8.9.10:12,20:8:14.17.15:10.11.12,20:8:12:14.15.16,(34.25,-39.18,;34.73,-37.71,;34.04,-36.34,;35.41,-35.64,;36.11,-37.02,;35.89,-34.17,;34.64,-33.26,;37.36,-33.7,;38.51,-34.73,;40,-34.31,;40,-32.72,;41.04,-31.49,;39.7,-31.97,;39.71,-33.45,;41.03,-33.94,;42.43,-33.6,;42.45,-32.07,;41.42,-34.88,;43.96,-33.54,;45.5,-33.47,;38.49,-36.27,;37.15,-37.02,;37.13,-38.56,;38.46,-39.34,;38.44,-40.89,;39.8,-38.58,;39.81,-37.05,)| Show InChI InChI=1S/C22H25FN2O2/c23-18-3-1-15(2-4-18)22(10-20(27)25-11-19(26)12-25)16-5-14-6-17(22)9-21(7-14,8-16)13-24/h1-4,14,16-17,19,26H,5-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair

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