Compile Data Set for Download or QSAR

Found 213 hits with Last Name = 'bauer' and Initial = 'l'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083671 (19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083670 (19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083670 (19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083669 (7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083671 (19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083671 (19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083669 (7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083669 (7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50057479 (7-Bromo-9,10-dihydro-phenanthrene-2-carboxylic aci...) Show SMILES OC(=O)c1ccc-2c(CCc3cc(Br)ccc-23)c1 Show InChI InChI=1S/C15H11BrO2/c16-12-4-6-14-10(8-12)2-1-9-7-11(15(17)18)3-5-13(9)14/h3-8H,1-2H2,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description In vitro inhibitory activity against Steroid 5-alpha-reductase type I				Bioorg Med Chem Lett 10: 1909-11 (2001) BindingDB Entry DOI: 10.7270/Q2M044PB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083670 (19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonistic activity against human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50213272 (CHEBI:6426 | Leupeptin) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00201 BindingDB Entry DOI: 10.7270/Q2JW8JJC
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50553988 (Antipain) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00201 BindingDB Entry DOI: 10.7270/Q2JW8JJC
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070046 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-2-quinolin-3-yl-v...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4cnc5ccccc5c4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H26N2O/c1-26-14-13-25(29)28(2)24(26)12-10-20-15-18(9-11-22(20)26)7-8-19-16-21-5-3-4-6-23(21)27-17-19/h3-9,11,15-17,24H,10,12-14H2,1-2H3/b8-7+/t24-,26-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type 1 enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070049 ((4aR,10bR)-4,10b-Dimethyl-8-((Z)-styryl)-1,4,4a,5,...) Show SMILES CN1[C@@H]2CCc3cc(\C=C/c4ccccc4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C23H25NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-10,12,16,21H,11,13-15H2,1-2H3/b9-8-/t21-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type I enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50553989 (CHEMBL4764505) Show SMILES [H][C@@]1(CCNC(=N)N1)[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00201 BindingDB Entry DOI: 10.7270/Q2JW8JJC
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50368782 (Bexlosteride | CHEMBL24955 | LY-191704) Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50031890 ((10R,13S)-17-tert-Butylcarbamoyl-10,13-dimethyl-2,...) Show SMILES [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=C(CC[C@]12C)C(O)=O |r,c:25,t:23| Show InChI InChI=1S/C25H37NO3/c1-23(2,3)26-21(27)20-9-8-18-17-7-6-16-14-15(22(28)29)10-12-24(16,4)19(17)11-13-25(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for inhibition of Type II 5-alpha-reductase in Human Prostate Homogenates (HPH)				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559431 (CHEMBL4753310) Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)N[C@@H]1CCOC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for inhibition of Type II 5-alpha-reductase in Human Prostate Homogenates (HPH).				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044878 (4,8-Dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]q...) Show SMILES CN1[C@@H]2CCc3cc(C)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C15H19NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9,13-14H,4,6-8H2,1-2H3/t13-,14-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559434 (CHEMBL4784095) Show SMILES CC(C)N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044879 ((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...) Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description In vitro inhibitory activity against Steroid 5-alpha-reductase type I				Bioorg Med Chem Lett 10: 1909-11 (2001) BindingDB Entry DOI: 10.7270/Q2M044PB
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044879 ((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...) Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50553990 (CHEMBL4788595) Show SMILES [H][C@@]1(CCNC(=N)N1)[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00201 BindingDB Entry DOI: 10.7270/Q2JW8JJC
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070054 ((4aR,10bR)-4,10b-Dimethyl-8-phenylethynyl-1,4,4a,5...) Show SMILES CN1[C@@H]2CCc3cc(ccc3[C@@]2(C)CCC1=O)C#Cc1ccccc1 Show InChI InChI=1S/C23H23NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-7,10,12,16,21H,11,13-15H2,1-2H3/t21-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type I enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070051 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-styryl)-1,4,4a,5,...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4ccccc4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C23H25NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-10,12,16,21H,11,13-15H2,1-2H3/b9-8+/t21-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description In vitro inhibitory activity against Steroid 5-alpha-reductase type I				Bioorg Med Chem Lett 10: 1909-11 (2001) BindingDB Entry DOI: 10.7270/Q2M044PB
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070051 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-styryl)-1,4,4a,5,...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4ccccc4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C23H25NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-10,12,16,21H,11,13-15H2,1-2H3/b9-8+/t21-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type I enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559423 (CHEMBL4744992) Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NCC1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044881 (8-Chloro-4-methyl-1,4,5,6-tetrahydro-2H-benzo[f]qu...) Show SMILES CN1C(=O)CCC2=C1CCc1cc(Cl)ccc21 |c:6| Show InChI InChI=1S/C14H14ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8H,2,5-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070044 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-2-quinolin-2-yl-v...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4ccc5ccccc5n4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H26N2O/c1-26-16-15-25(29)28(2)24(26)14-10-20-17-18(8-13-22(20)26)7-11-21-12-9-19-5-3-4-6-23(19)27-21/h3-9,11-13,17,24H,10,14-16H2,1-2H3/b11-7+/t24-,26-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type 1 enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559422 (CHEMBL4778645) Show SMILES Fc1cccc(Cl)c1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1COC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559430 (CHEMBL4753641) Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1COC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044891 (8-Fluoro-4-methyl-1,4,4a,5,6,10b-hexahydro-2H-benz...) Show SMILES CN1[C@@H]2CCc3cc(F)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16FNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559435 (CHEMBL4754584) Show SMILES CN1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044885 ((4aS,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...) Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559429 (CHEMBL4758113) Show SMILES CC1(COC1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559441 (CHEMBL4783382) Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CNC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559432 (CHEMBL4762965) Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50070054 ((4aR,10bR)-4,10b-Dimethyl-8-phenylethynyl-1,4,4a,5...) Show SMILES CN1[C@@H]2CCc3cc(ccc3[C@@]2(C)CCC1=O)C#Cc1ccccc1 Show InChI InChI=1S/C23H23NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-7,10,12,16,21H,11,13-15H2,1-2H3/t21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type 2 as [3H]-T to [3H]-DHT conversion human prostate nuclear membrane				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559419 (CHEMBL4749547) Show SMILES Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)N[C@@H]1CCOC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50559421 (CHEMBL4754908) Show SMILES Fc1ccc(NC(=O)Nc2cnn(c2)-c2csc(c2)C(=O)NC2COC2)c(Cl)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00533 BindingDB Entry DOI: 10.7270/Q2KW5KRN
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070047 ((4aR,10bR)-8-Furan-2-yl-4,10b-dimethyl-1,4,4a,5,6,...) Show SMILES CN1[C@@H]2CCc3cc(ccc3[C@@]2(C)CCC1=O)-c1ccco1 Show InChI InChI=1S/C19H21NO2/c1-19-10-9-18(21)20(2)17(19)8-6-13-12-14(5-7-15(13)19)16-4-3-11-22-16/h3-5,7,11-12,17H,6,8-10H2,1-2H3/t17-,19-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type 1 enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044886 (8-Chloro-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quino...) Show SMILES Clc1ccc2[C@H]3CCC(=O)N[C@@H]3CCc2c1 Show InChI InChI=1S/C13H14ClNO/c14-9-2-3-10-8(7-9)1-5-12-11(10)4-6-13(16)15-12/h2-3,7,11-12H,1,4-6H2,(H,15,16)/t11-,12-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for inhibition of Type I 5-alpha-reductase in Human genital skin (Hs68) foreskin fibroblast cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair

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