Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'stanek' and Initial = 'j'   

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
Aromatase (Homo sapiens (Human))	BDBM50405683 (CHEMBL174909) Show SMILES CCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C15H18N2O2/c1-2-3-8-17-13(18)12-9-15(12,14(17)19)10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Apparent inhibition constant (Ki) for cytochrome P450 19A1 with androstenedione				J Med Chem 31: 971-6 (1988) BindingDB Entry DOI: 10.7270/Q2154J7X
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011767 (1-(4-Amino-phenyl)-3-pentyl-3-aza-bicyclo[3.1.0]he...) Show SMILES CCCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C16H20N2O2/c1-2-3-4-9-18-14(19)13-10-16(13,15(18)20)11-5-7-12(17)8-6-11/h5-8,13H,2-4,9-10,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 androstenedione				J Med Chem 31: 971-6 (1988) BindingDB Entry DOI: 10.7270/Q2154J7X
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50405688 (CHEMBL174407) Show SMILES CCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C14H16N2O2/c1-2-7-16-12(17)11-8-14(11,13(16)18)9-3-5-10(15)6-4-9/h3-6,11H,2,7-8,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 androstenedione				J Med Chem 31: 971-6 (1988) BindingDB Entry DOI: 10.7270/Q2154J7X
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011760 (1-(4-Amino-phenyl)-3-aza-bicyclo[3.1.0]hexane-2,4-...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)NC2=O Show InChI InChI=1S/C11H10N2O2/c12-7-3-1-6(2-4-7)11-5-8(11)9(14)13-10(11)15/h1-4,8H,5,12H2,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 androstenedione				J Med Chem 31: 971-6 (1988) BindingDB Entry DOI: 10.7270/Q2154J7X
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9460 (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...) Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 with testosterone				J Med Chem 31: 971-6 (1988) BindingDB Entry DOI: 10.7270/Q2154J7X
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50368644 (CHEMBL1202793 | Sardomozide chloride) Show SMILES NC(=N)NN=C1CCc2c1cccc2C(N)=N |w:4.3| Show InChI InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory activity against S- adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 2168-71 (1993) BindingDB Entry DOI: 10.7270/Q24Q7VM5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM50011762 ((1R,5S)1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-15(18)16(21)20(17(18)22)11-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1 Aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011762 ((1R,5S)1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-15(18)16(21)20(17(18)22)11-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1 Aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046206 (2,2'-bipyridine-6,6'-dicarboximidamide | CHEMBL151...) Show SMILES NC(=N)c1cccc(n1)-c1cccc(n1)C(N)=N Show InChI InChI=1S/C12H12N6/c13-11(14)9-5-1-3-7(17-9)8-4-2-6-10(18-8)12(15)16/h1-6H,(H3,13,14)(H3,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046197 (4-{3-[(Z)-amino(imino)methyl]phenyl}pyrimidine-2-c...) Show SMILES NC(=N)c1cccc(c1)-c1ccnc(n1)C(N)=N Show InChI InChI=1S/C12H12N6/c13-10(14)8-3-1-2-7(6-8)9-4-5-17-12(18-9)11(15)16/h1-6H,(H3,13,14)(H3,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50368645 (CHEMBL1202792) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cccc(n1)-[#6](-[#7])=[#7] |w:2.2| Show InChI InChI=1S/C9H13N7/c1-5(15-16-9(12)13)6-3-2-4-7(14-6)8(10)11/h2-4H,1H3,(H3,10,11)(H4,12,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory activity against S- adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 2168-71 (1993) BindingDB Entry DOI: 10.7270/Q24Q7VM5
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011762 ((1R,5S)1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-15(18)16(21)20(17(18)22)11-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of estrogen production in hamster ovarian tissue				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011756 (1-(4-Amino-phenyl)-3-cyclohexyl-3-aza-bicyclo[3.1....) Show SMILES Nc1ccc(cc1)C12CC(C1)C(=O)N(C1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;2.88,-7.4,;2.88,-8.96,;1.55,-9.71,;.22,-8.94,;.22,-7.4,;2.88,-4.33,;4.22,-5.11,)| Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-12(11-18)16(21)20(17(18)22)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Ornithine decarboxylase (Rattus norvegicus)	BDBM50005726 (CHEMBL27061 | O-(3-Amino-2-fluoro-propyl)-hydroxyl...) Show SMILES NCC(F)CON Show InChI InChI=1S/C3H9FN2O/c4-3(1-5)2-7-6/h3H,1-2,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG. Curated by ChEMBL					Assay Description Inhibitory activity against Rat liver ornithine decarboxylase(ODC)				J Med Chem 35: 1339-44 (1992) BindingDB Entry DOI: 10.7270/Q24J0D27
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011767 (1-(4-Amino-phenyl)-3-pentyl-3-aza-bicyclo[3.1.0]he...) Show SMILES CCCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1 Show InChI InChI=1S/C16H20N2O2/c1-2-3-4-9-18-14(19)13-10-16(13,15(18)20)11-5-7-12(17)8-6-11/h5-8,13H,2-4,9-10,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011766 (1-(4-Amino-phenyl)-3-pentyl-3-aza-bicyclo[3.1.1]he...) Show SMILES CCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-1.11,-11.25,;-1.11,-9.71,;.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)| Show InChI InChI=1S/C17H22N2O2/c1-2-3-4-9-19-15(20)12-10-17(11-12,16(19)21)13-5-7-14(18)8-6-13/h5-8,12H,2-4,9-11,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Ornithine decarboxylase (Rattus norvegicus)	BDBM50005712 ((S)1-Amino-3-aminooxy-propan-2-ol | CHEMBL26435) Show SMILES NC[C@H](O)CON Show InChI InChI=1S/C3H10N2O2/c4-1-3(6)2-7-5/h3,6H,1-2,4-5H2/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG. Curated by ChEMBL					Assay Description Inhibitory activity against Rat liver ornithine decarboxylase(ODC)				J Med Chem 35: 1339-44 (1992) BindingDB Entry DOI: 10.7270/Q24J0D27
					More data for this Ligand-Target Pair
Ornithine decarboxylase (Rattus norvegicus)	BDBM50005719 ((APA)O-(3-Amino-propyl)-hydroxylamine | 3-AMINOOXY...) Show SMILES NCCCON Show InChI InChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG. Curated by ChEMBL					Assay Description Inhibitory activity against Rat liver ornithine decarboxylase(ODC)				J Med Chem 35: 1339-44 (1992) BindingDB Entry DOI: 10.7270/Q24J0D27
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046189 ((2E)-2-{3-[(Z)-amino(imino)methyl]benzylidene}hydr...) Show SMILES NC(=N)NN=Cc1cccc(c1)C(N)=N |w:5.5| Show InChI InChI=1S/C9H12N6/c10-8(11)7-3-1-2-6(4-7)5-14-15-9(12)13/h1-5H,(H3,10,11)(H4,12,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
Ornithine decarboxylase (Rattus norvegicus)	BDBM50005727 (1-Amino-3-aminooxy-propan-2-ol | CHEMBL26857) Show SMILES NCC(O)CON Show InChI InChI=1S/C3H10N2O2/c4-1-3(6)2-7-5/h3,6H,1-2,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG. Curated by ChEMBL					Assay Description Inhibitory activity against Rat liver ornithine decarboxylase(ODC)				J Med Chem 35: 1339-44 (1992) BindingDB Entry DOI: 10.7270/Q24J0D27
					More data for this Ligand-Target Pair
Ornithine decarboxylase (Rattus norvegicus)	BDBM50005725 ((R)1-Amino-3-aminooxy-propan-2-ol | CHEMBL284573) Show SMILES NC[C@@H](O)CON Show InChI InChI=1S/C3H10N2O2/c4-1-3(6)2-7-5/h3,6H,1-2,4-5H2/t3-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG. Curated by ChEMBL					Assay Description Inhibitory activity against Rat liver ornithine decarboxylase(ODC)				J Med Chem 35: 1339-44 (1992) BindingDB Entry DOI: 10.7270/Q24J0D27
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011765 (1-(4-Amino-phenyl)-3-heptyl-3-aza-bicyclo[3.1.1]he...) Show SMILES CCCCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-2.44,-13.56,;-2.44,-12.02,;-1.11,-11.25,;-1.11,-9.71,;.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)| Show InChI InChI=1S/C19H26N2O2/c1-2-3-4-5-6-11-21-17(22)14-12-19(13-14,18(21)23)15-7-9-16(20)10-8-15/h7-10,14H,2-6,11-13,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046196 (3-((E)-{[(Z)-((2E)-2-{3-[(E)-amino(imino)methyl]be...) Show SMILES NC(NN=Cc1cccc(c1)C(N)=N)=NN=Cc1cccc(c1)C(N)=N |w:14.15,4.4,16.17| Show InChI InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011768 (1-(4-Amino-phenyl)-3-isobutyl-3-aza-bicyclo[3.1.1]...) Show SMILES CC(C)CN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(.22,-8.96,;.22,-7.42,;-1.11,-6.65,;1.55,-6.65,;1.55,-5.11,;.23,-4.33,;-1.11,-5.11,;.23,-2.79,;1.55,-2.02,;2.88,-2.79,;1.57,-3.56,;2.88,-4.33,;4.22,-5.11,;4.22,-2.02,;5.55,-2.81,;6.9,-2.04,;6.91,-.5,;8.24,.27,;5.55,.28,;4.21,-.47,)| Show InChI InChI=1S/C16H20N2O2/c1-10(2)9-18-14(19)11-7-16(8-11,15(18)20)12-3-5-13(17)6-4-12/h3-6,10-11H,7-9,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046200 ((2E)-2-(1-{3-[(E)-amino(imino)methyl]phenyl}ethyli...) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7] |w:2.2| Show InChI InChI=1S/C10H14N6/c1-6(15-16-10(13)14)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H3,11,12)(H4,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011756 (1-(4-Amino-phenyl)-3-cyclohexyl-3-aza-bicyclo[3.1....) Show SMILES Nc1ccc(cc1)C12CC(C1)C(=O)N(C1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;2.88,-7.4,;2.88,-8.96,;1.55,-9.71,;.22,-8.94,;.22,-7.4,;2.88,-4.33,;4.22,-5.11,)| Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-12(11-18)16(21)20(17(18)22)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of estrogen production in hamster ovarian tissue				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046190 (6-((E)-{[(E)-amino(hydrazono)methyl]hydrazono}meth...) Show SMILES NN=C(N)c1cccc(C=NNC(N)=N)n1 |w:10.10,1.0| Show InChI InChI=1S/C8H12N8/c9-7(15-12)6-3-1-2-5(14-6)4-13-16-8(10)11/h1-4H,12H2,(H2,9,15)(H4,10,11,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046193 ((2E)-2-(1-{3-[(E)-amino(imino)methyl]phenyl}propyl...) Show SMILES [#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7] |w:3.3| Show InChI InChI=1S/C11H16N6/c1-2-9(16-17-11(14)15)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3,(H3,12,13)(H4,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046210 (6-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)p...) Show SMILES NC(=N)NN=Cc1cccc(n1)C(N)=N |w:4.3| Show InChI InChI=1S/C8H11N7/c9-7(10)6-3-1-2-5(14-6)4-13-15-8(11)12/h1-4H,(H3,9,10)(H4,11,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046209 ((2E)-2-{3-[(E)-amino(imino)methyl]benzylidene}-N'-...) Show SMILES NC(NO)=NN=Cc1cccc(c1)C(N)=N |w:4.4,6.6| Show InChI InChI=1S/C9H12N6O/c10-8(11)7-3-1-2-6(4-7)5-13-14-9(12)15-16/h1-5,16H,(H3,10,11)(H3,12,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
Ornithine decarboxylase (Rattus norvegicus)	BDBM50005714 (CHEMBL15650 | O-(3-Amino-2-chloro-propyl)-hydroxyl...) Show SMILES NCC(Cl)CON Show InChI InChI=1S/C3H9ClN2O/c4-3(1-5)2-7-6/h3H,1-2,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG. Curated by ChEMBL					Assay Description Inhibitory activity against Rat liver ornithine decarboxylase(ODC)				J Med Chem 35: 1339-44 (1992) BindingDB Entry DOI: 10.7270/Q24J0D27
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011764 (1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza-bicycl...) Show SMILES Nc1ccc(cc1)C12CC(C1)C(=O)N(CC1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;.22,-7.42,;.23,-8.96,;-1.11,-9.71,;-2.45,-8.94,;-2.45,-7.4,;-1.11,-6.64,;2.88,-4.33,;4.22,-5.11,)| Show InChI InChI=1S/C19H24N2O2/c20-16-8-6-15(7-9-16)19-10-14(11-19)17(22)21(18(19)23)12-13-4-2-1-3-5-13/h6-9,13-14H,1-5,10-12,20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011761 (1-(4-Amino-phenyl)-3-propyl-3-aza-bicyclo[3.1.1]he...) Show SMILES CCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)| Show InChI InChI=1S/C15H18N2O2/c1-2-7-17-13(18)10-8-15(9-10,14(17)19)11-3-5-12(16)6-4-11/h3-6,10H,2,7-9,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046207 (6-((E)-{[(E)-[(2E)-2-({6-[(E)-amino(imino)methyl]p...) Show SMILES NC(=N)c1cccc(C=NNC(=N)NN=Cc2cccc(n2)C(N)=N)n1 |w:15.15,8.7| Show InChI InChI=1S/C15H17N11/c16-13(17)11-5-1-3-9(23-11)7-21-25-15(20)26-22-8-10-4-2-6-12(24-10)14(18)19/h1-8H,(H3,16,17)(H3,18,19)(H3,20,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046191 ((2E)-2-{3-[(E)-amino(imino)methyl]benzylidene}-N'-...) Show SMILES CCCCN=C(N)NN=Cc1cccc(c1)C(N)=N |w:9.9,4.3| Show InChI InChI=1S/C13H20N6/c1-2-3-7-17-13(16)19-18-9-10-5-4-6-11(8-10)12(14)15/h4-6,8-9H,2-3,7H2,1H3,(H3,14,15)(H3,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046204 (4,4'-bipyridine-2,2'-dicarboximidamide | CHEMBL433...) Show SMILES NC(=N)c1cc(ccn1)-c1ccnc(c1)C(N)=N Show InChI InChI=1S/C12H12N6/c13-11(14)9-5-7(1-3-17-9)8-2-4-18-10(6-8)12(15)16/h1-6H,(H3,13,14)(H3,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046203 (3-((E)-{[(E)-amino(hydrazono)methyl]hydrazono}meth...) Show SMILES NC(=N)c1cccc(CNN=C(N)N=N)c1 |w:10.9| Show InChI InChI=1S/C9H13N7/c10-8(11)7-3-1-2-6(4-7)5-14-16-9(12)15-13/h1-4,13-14H,5H2,(H3,10,11)(H2,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011759 (1-(4-Amino-phenyl)-3-decyl-3-aza-bicyclo[3.1.1]hep...) Show SMILES CCCCCCCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-5.11,-16.64,;-3.78,-15.87,;-3.78,-14.33,;-2.44,-13.56,;-2.44,-12.02,;-1.11,-11.25,;-1.11,-9.71,;.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)| Show InChI InChI=1S/C22H32N2O2/c1-2-3-4-5-6-7-8-9-14-24-20(25)17-15-22(16-17,21(24)26)18-10-12-19(23)13-11-18/h10-13,17H,2-9,14-16,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011762 ((1R,5S)1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-15(18)16(21)20(17(18)22)11-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of progesterone production in hamster ovarian tissue				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011758 (1-(4-Amino-phenyl)-3-(4-methoxy-benzyl)-3-aza-bicy...) Show SMILES COc1ccc(CN2C(=O)C3CC(C3)(C2=O)c2ccc(N)cc2)cc1 |(-5.12,-8.95,;-3.78,-9.72,;-2.44,-8.93,;-2.44,-7.39,;-1.11,-6.62,;.22,-7.41,;1.55,-6.64,;1.55,-5.1,;.23,-4.33,;-1.11,-5.1,;.23,-2.79,;1.55,-2.02,;2.88,-2.79,;1.57,-3.56,;2.88,-4.33,;4.21,-5.1,;4.21,-2.02,;5.54,-2.8,;6.89,-2.04,;6.9,-.5,;8.23,.27,;5.54,.28,;4.2,-.47,;.23,-8.93,;-1.1,-9.7,)| Show InChI InChI=1S/C20H20N2O3/c1-25-17-8-2-13(3-9-17)12-22-18(23)14-10-20(11-14,19(22)24)15-4-6-16(21)7-5-15/h2-9,14H,10-12,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046202 (6-((E)-{[(E)-amino(hydroxyimino)methyl]hydrazono}m...) Show SMILES NC(NO)=NN=Cc1cccc(n1)C(N)=N |w:4.4,6.6| Show InChI InChI=1S/C8H11N7O/c9-7(10)6-3-1-2-5(13-6)4-12-14-8(11)15-16/h1-4,16H,(H3,9,10)(H3,11,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046195 (4-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)p...) Show SMILES NC(=N)NN=Cc1ccnc(c1)C(N)=N |w:5.5| Show InChI InChI=1S/C8H11N7/c9-7(10)6-3-5(1-2-13-6)4-14-15-8(11)12/h1-4H,(H3,9,10)(H4,11,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046194 (4-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)p...) Show SMILES NC(=N)NN=Cc1ccnc(n1)C(N)=N |w:4.3| Show InChI InChI=1S/C7H10N8/c8-5(9)6-12-2-1-4(14-6)3-13-15-7(10)11/h1-3H,(H3,8,9)(H4,10,11,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046212 (1,1'-biphenyl-3,3'-dicarboximidamide | CHEMBL15062...) Show SMILES NC(=N)c1cccc(c1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C14H14N4/c15-13(16)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(17)18/h1-8H,(H3,15,16)(H3,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046192 (6-((E)-{[(E)-amino(hydrazono)methyl]hydrazono}meth...) Show SMILES NC(=N)c1cccc(CNN=C(N)N=N)n1 |w:10.9| Show InChI InChI=1S/C8H12N8/c9-7(10)6-3-1-2-5(14-6)4-13-16-8(11)15-12/h1-3,12-13H,4H2,(H3,9,10)(H2,11,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
Amiloride-sensitive amine oxidase [copper-containing] (Rattus norvegicus)	BDBM50046207 (6-((E)-{[(E)-[(2E)-2-({6-[(E)-amino(imino)methyl]p...) Show SMILES NC(=N)c1cccc(C=NNC(=N)NN=Cc2cccc(n2)C(N)=N)n1 |w:15.15,8.7| Show InChI InChI=1S/C15H17N11/c16-13(17)11-5-1-3-9(23-11)7-21-25-15(20)26-22-8-10-4-2-6-12(24-10)14(18)19/h1-8H,(H3,16,17)(H3,18,19)(H3,20,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011762 ((1R,5S)1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-15(18)16(21)20(17(18)22)11-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Amiloride-sensitive amine oxidase [copper-containing] (Rattus norvegicus)	BDBM50046196 (3-((E)-{[(Z)-((2E)-2-{3-[(E)-amino(imino)methyl]be...) Show SMILES NC(NN=Cc1cccc(c1)C(N)=N)=NN=Cc1cccc(c1)C(N)=N |w:14.15,4.4,16.17| Show InChI InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
Amiloride-sensitive amine oxidase [copper-containing] (Rattus norvegicus)	BDBM50046203 (3-((E)-{[(E)-amino(hydrazono)methyl]hydrazono}meth...) Show SMILES NC(=N)c1cccc(CNN=C(N)N=N)c1 |w:10.9| Show InChI InChI=1S/C9H13N7/c10-8(11)7-3-1-2-6(4-7)5-14-16-9(12)15-13/h1-4,13-14H,5H2,(H3,10,11)(H2,12,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair
Amiloride-sensitive amine oxidase [copper-containing] (Rattus norvegicus)	BDBM50046210 (6-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)p...) Show SMILES NC(=N)NN=Cc1cccc(n1)C(N)=N |w:4.3| Show InChI InChI=1S/C8H11N7/c9-7(10)6-3-1-2-5(14-6)4-13-15-8(11)12/h1-4H,(H3,9,10)(H4,11,12,15)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair

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