Compile Data Set for Download or QSAR

Found 427 hits with Last Name = 'waddell' and Initial = 'st'   

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
11-beta-hydroxysteroid dehydrogenase 1 (Rattus norvegicus (rat))	BDBM50174298 (3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of rat 11beta-HSD1				Bioorg Med Chem Lett 23: 3650-3 (2013) Article DOI: 10.1016/j.bmcl.2013.03.011 BindingDB Entry DOI: 10.7270/Q29S1SDM
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Rattus norvegicus (rat))	BDBM50340378 (3-(4-(2-(ethylsulfonyl)ethyl)bicyclo[2.2.2]octan-1...) Show SMILES CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C22H28F3N3O2S/c1-3-31(29,30)15-14-20-8-11-21(12-9-20,13-10-20)19-27-26-18(28(19)2)16-6-4-5-7-17(16)22(23,24)25/h4-7H,3,8-15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of rat 11beta-HSD1				Bioorg Med Chem Lett 23: 3650-3 (2013) Article DOI: 10.1016/j.bmcl.2013.03.011 BindingDB Entry DOI: 10.7270/Q29S1SDM
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Rattus norvegicus (rat))	BDBM50435691 (CHEMBL2391968) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)C(C)(F)F)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C22H22F5N5O/c1-19(23,24)18-28-16(31-33-18)20-7-10-21(11-8-20,12-9-20)17-30-29-15(32(17)2)13-5-3-4-6-14(13)22(25,26)27/h3-6H,7-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of rat 11beta-HSD1				Bioorg Med Chem Lett 23: 3650-3 (2013) Article DOI: 10.1016/j.bmcl.2013.03.011 BindingDB Entry DOI: 10.7270/Q29S1SDM
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Rattus norvegicus (rat))	BDBM50340386 (3-(4-(ethylsulfonylmethyl)bicyclo[2.2.2]octan-1-yl...) Show SMILES CCS(=O)(=O)CC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C21H26F3N3O2S/c1-3-30(28,29)14-19-8-11-20(12-9-19,13-10-19)18-26-25-17(27(18)2)15-6-4-5-7-16(15)21(22,23)24/h4-7H,3,8-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of rat 11beta-HSD1				Bioorg Med Chem Lett 23: 3650-3 (2013) Article DOI: 10.1016/j.bmcl.2013.03.011 BindingDB Entry DOI: 10.7270/Q29S1SDM
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50280116 (CHEMBL4177355) Show SMILES [H][C@@]12CN([C@@H](CCc3c(F)cncc3NC(=O)[C@@H](N)[C@@H](c3ccc(Cl)cc3)c3cc(F)cc(F)c3)CN1)S(=O)(=O)CCC2 |r| Show InChI InChI=1S/C29H31ClF3N5O3S/c30-19-5-3-17(4-6-19)27(18-10-20(31)12-21(32)11-18)28(34)29(39)37-26-15-35-14-25(33)24(26)8-7-23-13-36-22-2-1-9-42(40,41)38(23)16-22/h3-6,10-12,14-15,22-23,27-28,36H,1-2,7-9,13,16,34H2,(H,37,39)/t22-,23+,27+,28+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of GAR transformylase from Lactobacillus casei				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190623 (CHEMBL3828743) Show SMILES N[C@@H]([C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C30H30ClF6N5O4/c31-18-3-1-16(2-4-18)26(17-7-19(32)9-20(33)8-17)27(38)28(43)42-25-12-39-11-24(34)23(25)6-5-22-10-40-21(13-45-22)14-46-29(44)41-15-30(35,36)37/h1-4,7-9,11-12,21-22,26-27,40H,5-6,10,13-15,38H2,(H,41,44)(H,42,43)/t21-,22+,26-,27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL 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
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340800 (3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES COc1cc(ccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C25H23ClN4O/c1-30-23(21-11-6-17(15-22(21)31-2)18-5-3-14-27-16-18)28-29-24(30)25(12-4-13-25)19-7-9-20(26)10-8-19/h3,5-11,14-16H,4,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340801 (2-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1O)-c1cccnc1 Show InChI InChI=1S/C24H21ClN4O/c1-29-22(20-10-5-16(14-21(20)30)17-4-2-13-26-15-17)27-28-23(29)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15,30H,3,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340380 (CHEMBL1761310 | N-((4-(4-methyl-5-(2-(trifluoromet...) Show SMILES CCCS(=O)(=O)NCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C22H29F3N4O2S/c1-3-14-32(30,31)26-15-20-8-11-21(12-9-20,13-10-20)19-28-27-18(29(19)2)16-6-4-5-7-17(16)22(23,24)25/h4-7,26H,3,8-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340794 (CHEMBL1760685 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cccs2)cc1 Show InChI InChI=1S/C24H21ClN4OS/c1-29-21(16-5-11-19(12-6-16)26-22(30)20-4-2-15-31-20)27-28-23(29)24(13-3-14-24)17-7-9-18(25)10-8-17/h2,4-12,15H,3,13-14H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340399 (4-methyl-3-(4-((4-(methylsulfonyl)phenoxy)methyl)b...) Show SMILES Cn1c(nnc1C12CCC(COc3ccc(cc3)S(C)(=O)=O)(CC1)CC2)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H28F3N3O3S/c1-32-22(20-5-3-4-6-21(20)26(27,28)29)30-31-23(32)25-14-11-24(12-15-25,13-16-25)17-35-18-7-9-19(10-8-18)36(2,33)34/h3-10H,11-17H2,1-2H3	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340830 (3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-met...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)C(N)=O Show InChI InChI=1S/C20H18Cl2N4O/c1-26-18(15-8-3-12(17(23)27)11-16(15)22)24-25-19(26)20(9-2-10-20)13-4-6-14(21)7-5-13/h3-8,11H,2,9-10H2,1H3,(H2,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50260908 (3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3	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
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340811 (4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C20H19ClN4O/c1-25-18(14-5-3-13(4-6-14)17(22)26)23-24-19(25)20(11-2-12-20)15-7-9-16(21)10-8-15/h3-10H,2,11-12H2,1H3,(H2,22,26)	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
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340803 (2-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1OC(F)F)-c1cnccn1 Show InChI InChI=1S/C24H20ClF2N5O/c1-32-21(30-31-22(32)24(9-2-10-24)16-4-6-17(25)7-5-16)18-8-3-15(13-20(18)33-23(26)27)19-14-28-11-12-29-19/h3-8,11-14,23H,2,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340389 (3-(4-((4-chlorophenoxy)methyl)bicyclo[2.2.2]octan-...) Show SMILES Cn1c(nnc1C12CCC(COc3ccc(Cl)cc3)(CC1)CC2)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C25H25ClF3N3O/c1-32-21(19-4-2-3-5-20(19)25(27,28)29)30-31-22(32)24-13-10-23(11-14-24,12-15-24)16-33-18-8-6-17(26)7-9-18/h2-9H,10-16H2,1H3	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340820 (4-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnoc1 Show InChI InChI=1S/C22H19ClN4O/c1-27-20(16-5-3-15(4-6-16)17-13-24-28-14-17)25-26-21(27)22(11-2-12-22)18-7-9-19(23)10-8-18/h3-10,13-14H,2,11-12H2,1H3	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340819 (6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(N)nn1 Show InChI InChI=1S/C23H21ClN6/c1-30-21(16-5-3-15(4-6-16)19-11-12-20(25)27-26-19)28-29-22(30)23(13-2-14-23)17-7-9-18(24)10-8-17/h3-12H,2,13-14H2,1H3,(H2,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340814 (5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnc(=O)[nH]c1 Show InChI InChI=1S/C23H20ClN5O/c1-29-20(16-5-3-15(4-6-16)17-13-25-22(30)26-14-17)27-28-21(29)23(11-2-12-23)18-7-9-19(24)10-8-18/h3-10,13-14H,2,11-12H2,1H3,(H,25,26,30)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340394 (5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,...) Show SMILES CC(=O)CCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C23H28F3N3O/c1-16(30)6-5-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-3-4-8-18(17)23(24,25)26/h3-4,7-8H,5-6,9-15H2,1-2H3	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50260908 (3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239407 (3-(1-(4-chlorophenyl)cyclobutyl)-5,6,7,8,9,10-hexa...) Show SMILES Clc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12 Show InChI InChI=1S/C18H22ClN3/c19-15-9-7-14(8-10-15)18(11-5-12-18)17-21-20-16-6-3-1-2-4-13-22(16)17/h7-10H,1-6,11-13H2	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340394 (5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,...) Show SMILES CC(=O)CCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C23H28F3N3O/c1-16(30)6-5-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-3-4-8-18(17)23(24,25)26/h3-4,7-8H,5-6,9-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174299 (2,2,2-trifluoro-1-(4-(5-(4-(4-methyl-5-(2-(trifluo...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)C(O)C(F)(F)F)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H25F6N5O2/c1-39-22(18-4-2-3-5-19(18)27(29,30)31)36-37-23(39)25-10-13-26(14-11-25,15-12-25)24-35-21(38-41-24)17-8-6-16(7-9-17)20(40)28(32,33)34/h2-9,20,40H,10-15H2,1H3	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibitory activity against human 11beta-HSD1				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340392 (4-methyl-3-(4-(2-(2,2,2-trifluoroethylsulfonyl)eth...) Show SMILES Cn1c(nnc1C12CCC(CCS(=O)(=O)CC(F)(F)F)(CC1)CC2)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C22H25F6N3O2S/c1-31-17(15-4-2-3-5-16(15)22(26,27)28)29-30-18(31)20-9-6-19(7-10-20,8-11-20)12-13-34(32,33)14-21(23,24)25/h2-5H,6-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340389 (3-(4-((4-chlorophenoxy)methyl)bicyclo[2.2.2]octan-...) Show SMILES Cn1c(nnc1C12CCC(COc3ccc(Cl)cc3)(CC1)CC2)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C25H25ClF3N3O/c1-32-21(19-4-2-3-5-20(19)25(27,28)29)30-31-22(32)24-13-10-23(11-14-24,12-15-24)16-33-18-8-6-17(26)7-9-18/h2-9H,10-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340812 (5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)18-13-25-15-26-14-18)27-28-22(29)23(11-2-12-23)19-7-9-20(24)10-8-19/h3-10,13-15H,2,11-12H2,1H3	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340800 (3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES COc1cc(ccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C25H23ClN4O/c1-30-23(21-11-6-17(15-22(21)31-2)18-5-3-14-27-16-18)28-29-24(30)25(12-4-13-25)19-7-9-20(26)10-8-19/h3,5-11,14-16H,4,12-13H2,1-2H3	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340818 (3-chloro-6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(Cl)nn1 Show InChI InChI=1S/C23H19Cl2N5/c1-30-21(16-5-3-15(4-6-16)19-11-12-20(25)27-26-19)28-29-22(30)23(13-2-14-23)17-7-9-18(24)10-8-17/h3-12H,2,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340818 (3-chloro-6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(Cl)nn1 Show InChI InChI=1S/C23H19Cl2N5/c1-30-21(16-5-3-15(4-6-16)19-11-12-20(25)27-26-19)28-29-22(30)23(13-2-14-23)17-7-9-18(24)10-8-17/h3-12H,2,13-14H2,1H3	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340373 (4-methyl-3-(4-(2-(phenylsulfonyl)ethyl)bicyclo[2.2...) Show SMILES Cn1c(nnc1C12CCC(CCS(=O)(=O)c3ccccc3)(CC1)CC2)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2S/c1-32-22(20-9-5-6-10-21(20)26(27,28)29)30-31-23(32)25-14-11-24(12-15-25,13-16-25)17-18-35(33,34)19-7-3-2-4-8-19/h2-10H,11-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50174288 (3-(4-(5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)bic...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nnc([nH]1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H24F4N6/c1-36-21(18-4-2-3-5-19(18)26(28,29)30)33-35-23(36)25-13-10-24(11-14-25,12-15-25)22-31-20(32-34-22)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3,(H,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibitory activity against mouse 11beta-HSD1				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340799 (3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C24H20ClFN4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340402 (3-(4-(4-(ethylsulfonyl)butyl)bicyclo[2.2.2]octan-1...) Show SMILES CCS(=O)(=O)CCCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C24H32F3N3O2S/c1-3-33(31,32)17-7-6-10-22-11-14-23(15-12-22,16-13-22)21-29-28-20(30(21)2)18-8-4-5-9-19(18)24(25,26)27/h4-5,8-9H,3,6-7,10-17H2,1-2H3	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340396 (5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,...) Show SMILES CC(O)CCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C23H30F3N3O/c1-16(30)6-5-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-3-4-8-18(17)23(24,25)26/h3-4,7-8,16,30H,5-6,9-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340802 (2-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cnccn1 Show InChI InChI=1S/C23H19ClFN5/c1-30-21(18-8-3-15(13-19(18)25)20-14-26-11-12-27-20)28-29-22(30)23(9-2-10-23)16-4-6-17(24)7-5-16/h3-8,11-14H,2,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50260623 (3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-phenyl...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C19H18ClN3/c1-23-17(14-6-3-2-4-7-14)21-22-18(23)19(12-5-13-19)15-8-10-16(20)11-9-15/h2-4,6-11H,5,12-13H2,1H3	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340799 (3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C24H20ClFN4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174281 (4-methyl-3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5-(2...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C23H30F3N3/c1-3-4-7-10-21-11-14-22(15-12-21,16-13-21)20-28-27-19(29(20)2)17-8-5-6-9-18(17)23(24,25)26/h5-6,8-9H,3-4,7,10-16H2,1-2H3	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50174284 (4-methyl-3-(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H26F3N5O3S/c1-35-22(19-5-3-4-6-20(19)27(28,29)30)32-33-23(35)25-11-14-26(15-12-25,16-13-25)24-31-21(34-38-24)17-7-9-18(10-8-17)39(2,36)37/h3-10H,11-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibitory activity against mouse 11beta-HSD1				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340402 (3-(4-(4-(ethylsulfonyl)butyl)bicyclo[2.2.2]octan-1...) Show SMILES CCS(=O)(=O)CCCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C24H32F3N3O2S/c1-3-33(31,32)17-7-6-10-22-11-14-23(15-12-22,16-13-22)21-29-28-20(30(21)2)18-8-4-5-9-19(18)24(25,26)27/h4-5,8-9H,3,6-7,10-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340376 (3-(4-(2-(4-fluorophenylsulfonyl)ethyl)bicyclo[2.2....) Show SMILES Cn1c(nnc1C12CCC(CCS(=O)(=O)c3ccc(F)cc3)(CC1)CC2)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H27F4N3O2S/c1-33-22(20-4-2-3-5-21(20)26(28,29)30)31-32-23(33)25-13-10-24(11-14-25,12-15-25)16-17-36(34,35)19-8-6-18(27)7-9-19/h2-9H,10-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174295 (4-methyl-3-(2-(trifluoromethyl)phenyl)-5-(4-(3-(4-...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H23F6N5O3S/c1-38-21(18-4-2-3-5-19(18)26(28,29)30)35-36-22(38)24-10-13-25(14-11-24,15-12-24)23-34-20(37-41-23)16-6-8-17(9-7-16)42(39,40)27(31,32)33/h2-9H,10-15H2,1H3	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibitory activity against human 11beta-HSD1				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340808 (CHEMBL1760690 | N-(3-chloro-4-(5-(1-(4-chloropheny...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cnccn2)cc1Cl Show InChI InChI=1S/C24H20Cl2N6O/c1-32-21(30-31-23(32)24(9-2-10-24)15-3-5-16(25)6-4-15)18-8-7-17(13-19(18)26)29-22(33)20-14-27-11-12-28-20/h3-8,11-14H,2,9-10H2,1H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50174298 (3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibitory activity against mouse 11beta-HSD1				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340395 (3-(4-(4-methoxybutyl)bicyclo[2.2.2]octan-1-yl)-4-m...) Show SMILES COCCCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C23H30F3N3O/c1-29-19(17-7-3-4-8-18(17)23(24,25)26)27-28-20(29)22-13-10-21(11-14-22,12-15-22)9-5-6-16-30-2/h3-4,7-8H,5-6,9-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50174283 (3-(4-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)bicy...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(Cl)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23ClF3N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibitory activity against mouse 11beta-HSD1				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174296 (3-(4-(5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl)bicy...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23F4N5O/c1-35-20(18-4-2-3-5-19(18)26(28,29)30)32-33-23(35)25-13-10-24(11-14-25,12-15-25)22-31-21(36-34-22)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3	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
Merck & Co. Curated by ChEMBL					Assay Description Inhibitory activity against human 11beta-HSD1				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair

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