Compile Data Set for Download or QSAR

Found 258 hits with Last Name = 'guarna' and Initial = 'a'   

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
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092485 (4-methyl-8-chloro-1,2,5,6-tetrahydro pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(Cl)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C14H14ClNO/c1-9-12-4-2-10-8-11(15)3-5-13(10)16(12)7-6-14(9)17/h3,5,8H,2,4,6-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition constant against recombinant Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092492 (4,8-Dimethyl-1,2,5,6-tetrahydro-pyrido[1,2-a]quino...) Show SMILES CC1=C2CCc3cc(C)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C15H17NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h3,5,9H,4,6-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition constant against recombinant Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50057499 ((R)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-hexahyd...) Show SMILES CN1C2CCc3cc(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 Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 1				Bioorg Med Chem Lett 8: 2871-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC1169
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402348 (CHEMBL2206678) Show SMILES CCCCNC(=O)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CCN([C@H](Cc2ccccc2)C1=O)C(=O)N1CCN(C)CC1)C(C)C |r| Show InChI InChI=1S/C42H70N6O5/c1-6-8-20-36(40(51)44-35(28-32-16-12-10-13-17-32)38(49)30-34(31(3)4)39(50)43-21-9-7-2)47-26-27-48(42(53)46-24-22-45(5)23-25-46)37(41(47)52)29-33-18-14-11-15-19-33/h11,14-15,18-19,31-32,34-38,49H,6-10,12-13,16-17,20-30H2,1-5H3,(H,43,50)(H,44,51)/t34-,35+,36+,37-,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057501 ((S)-7-Chloro-4a-methyl-3,4,4a,9-tetrahydro-phenant...) Show SMILES C[C@]12CCC(=CC1=CCc1cc(Cl)ccc21)C(O)=O |c:4,7| Show InChI InChI=1S/C16H15ClO2/c1-16-7-6-11(15(18)19)8-12(16)3-2-10-9-13(17)4-5-14(10)16/h3-5,8-9H,2,6-7H2,1H3,(H,18,19)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 2				Bioorg Med Chem Lett 8: 2871-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC1169
					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	366	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against recombinant Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50072190 ((R)-8-Chloro-4,10b-dimethyl-1,5,6,10b-tetrahydro-2...) Show SMILES CC1C(=O)CC[C@@]2(C)C1=NCc1cc(Cl)ccc21 |t:9| Show InChI InChI=1S/C15H16ClNO/c1-9-13(18)5-6-15(2)12-4-3-11(16)7-10(12)8-17-14(9)15/h3-4,7,9H,5-6,8H2,1-2H3/t9?,15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 1				Bioorg Med Chem Lett 8: 2871-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC1169
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057499 ((R)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-hexahyd...) Show SMILES CN1C2CCc3cc(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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 2				Bioorg Med Chem Lett 8: 2871-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC1169
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50057501 ((S)-7-Chloro-4a-methyl-3,4,4a,9-tetrahydro-phenant...) Show SMILES C[C@]12CCC(=CC1=CCc1cc(Cl)ccc21)C(O)=O |c:4,7| Show InChI InChI=1S/C16H15ClO2/c1-16-7-6-11(15(18)19)8-12(16)3-2-10-9-13(17)4-5-14(10)16/h3-5,8-9H,2,6-7H2,1H3,(H,18,19)/t16-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 1				Bioorg Med Chem Lett 8: 2871-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC1169
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50072190 ((R)-8-Chloro-4,10b-dimethyl-1,5,6,10b-tetrahydro-2...) Show SMILES CC1C(=O)CC[C@@]2(C)C1=NCc1cc(Cl)ccc21 |t:9| Show InChI InChI=1S/C15H16ClNO/c1-9-13(18)5-6-15(2)12-4-3-11(16)7-10(12)8-17-14(9)15/h3-4,7,9H,5-6,8H2,1-2H3/t9?,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 2				Bioorg Med Chem Lett 8: 2871-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC1169
					More data for this Ligand-Target Pair
Integrin alpha-V (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor in human placenta by microplate scintillation counter				Bioorg Med Chem 17: 1542-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.006 BindingDB Entry DOI: 10.7270/Q2NC613B
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50032771 ((4aR,6aR,10S)-7-(1,5-Dimethyl-hexyl)-1,4a,6a,10-te...) Show SMILES CC(C)CCCC(C)C1CCC2C3[C@@H](C)CC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C28H49NO/c1-18(2)9-8-10-19(3)21-11-12-22-26-20(4)17-24-28(6,16-14-25(30)29(24)7)23(26)13-15-27(21,22)5/h18-24,26H,8-17H2,1-7H3/t19?,20-,21?,22?,23?,24?,26?,27+,28+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Inhibition of human Steroid 5-alpha-reductase type I				Bioorg Med Chem Lett 10: 353-6 (2000) BindingDB Entry DOI: 10.7270/Q2K35SVJ
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano Curated by ChEMBL					Assay Description Displacement of biotinylated ECM from human placental integrin alphavbeta3 receptor incubated for 3 hrs				Bioorg Med Chem 24: 989-94 (2016) Article DOI: 10.1016/j.bmc.2016.01.023 BindingDB Entry DOI: 10.7270/Q2KP854P
					More data for this Ligand-Target Pair
Integrin alpha-V (Homo sapiens (Human))	BDBM50276748 (CHEMBL460012 | [(1R,3S,9S,11S,14R)-9-(3-Guanidino-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H]-3-[#6]-[#6]-[#6@H](-[#7]-3-[#6]-2=O)-[#6]-1=O |r| Show InChI InChI=1S/C21H33N7O6/c22-21(23)24-8-2-5-12-18(32)15-7-6-11-3-1-4-13(20(34)28(11)15)26-14(9-17(30)31)19(33)25-10-16(29)27-12/h11-15,26H,1-10H2,(H,25,33)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,12+,13-,14+,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor in human placenta by microplate scintillation counter				Bioorg Med Chem 17: 1542-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.006 BindingDB Entry DOI: 10.7270/Q2NC613B
					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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 2 receptor from human prostate homogenates				Bioorg Med Chem Lett 8: 2871-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC1169
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate compared with finasteride in experiment 1				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against steroid 5-alpha-reductase type 2 in human prostate homogenates				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type I in human scalp homogenates				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057290 ((5aS,7aS,10aS,10bS)-7a-Methyl-1,5a,6,7,7a,9,10,10a...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4CC(=O)C=CN34)[C@@H]1CCC2=O |c:12| Show InChI InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h7,9,11,13-15H,2-6,8,10H2,1H3/t11?,13-,14-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057297 ((5aS,7aS,8S,10aS,10bS)-8-Hydroxy-7a-methyl-3,4,6,7...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCN34)[C@@H]1CC[C@@H]2O |t:8| Show InChI InChI=1S/C17H25NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h10,13-16,20H,2-9H2,1H3/t13-,14-,15-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057289 ((5aS,7aS,10aS,10bS,12aS)-7a-Methyl-tetradecahydro-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CCN34)[C@@H]1CCC2=O Show InChI InChI=1S/C17H25NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h11,13-15H,2-10H2,1H3/t11-,13-,14-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369338 (CHEMBL1237294) Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN34)C1CC[C@@H]2O |r,c:3,t:8| Show InChI InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14,16,20H,2-5,7-9H2,1H3/t13-,14?,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					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 Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057292 ((5aS,7aS,10aS,10bS)-7a-Methyl-3,4,5a,6,7,7a,9,10,1...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCN34)[C@@H]1CCC2=O |t:8| Show InChI InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h10,13-15H,2-9H2,1H3/t13-,14-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369336 (CHEMBL1237306) Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN34)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C17H21NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14H,2-5,7-9H2,1H3/t13-,14?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate compared with finasteride in experiment 3				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057295 ((5aS,7aS,8S,10aS,10bS)-7a-Methyl-2-oxo-2,3,4,5a,6,...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCN4[C@H]3CC[C@]12C |t:14| Show InChI InChI=1S/C22H34N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h13,16-19H,5-12H2,1-4H3,(H,23,26)/t16-,17-,18+,19-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
Integrin alpha-V (Homo sapiens (Human))	BDBM50276748 (CHEMBL460012 | [(1R,3S,9S,11S,14R)-9-(3-Guanidino-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H]-3-[#6]-[#6]-[#6@H](-[#7]-3-[#6]-2=O)-[#6]-1=O |r| Show InChI InChI=1S/C21H33N7O6/c22-21(23)24-8-2-5-12-18(32)15-7-6-11-3-1-4-13(20(34)28(11)15)26-14(9-17(30)31)19(33)25-10-16(29)27-12/h11-15,26H,1-10H2,(H,25,33)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,12+,13-,14+,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.64	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta3 receptor in human placenta by microplate scintillation counter				Bioorg Med Chem 17: 1542-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.006 BindingDB Entry DOI: 10.7270/Q2NC613B
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate compared with finasteride in experiment 2				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092485 (4-methyl-8-chloro-1,2,5,6-tetrahydro pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(Cl)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C14H14ClNO/c1-9-12-4-2-10-8-11(15)3-5-13(10)16(12)7-6-14(9)17/h3,5,8H,2,4,6-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369337 (CHEMBL1794821) Show SMILES C[C@]12CCC3=NC(CC(=O)C=C)=CCC3[C@@H]1CCC2=O |c:11,t:4| Show InChI InChI=1S/C17H21NO2/c1-3-12(19)10-11-4-5-13-14-6-7-16(20)17(14,2)9-8-15(13)18-11/h3-4,13-14H,1,5-10H2,2H3/t13?,14-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369334 (CHEMBL1237307) Show SMILES C[C@]12CCC3=C4C(=O)CCN=C4CCC3[C@@H]1CCC2=O |r,c:4,10| Show InChI InChI=1S/C17H21NO2/c1-17-8-6-11-10(12(17)3-5-15(17)20)2-4-13-16(11)14(19)7-9-18-13/h10,12H,2-9H2,1H3/t10?,12-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50276747 (CHEMBL443362 | c[RGDf-(3R)-Carboxymorpholine]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#8]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H36N8O8/c27-26(28)29-8-4-7-16-22(38)30-13-20(35)31-17(12-21(36)37)23(39)33-18(11-15-5-2-1-3-6-15)25(41)34-9-10-42-14-19(34)24(40)32-16/h1-3,5-6,16-19H,4,7-14H2,(H,30,38)(H,31,35)(H,32,40)(H,33,39)(H,36,37)(H4,27,28,29)/t16-,17-,18+,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [125I] echistatin from alphaVbeta3 integrin isolated from human placenta after 3 hrs by liquid scintillation counter				J Med Chem 55: 5024-33 (2012) Article DOI: 10.1021/jm2016232 BindingDB Entry DOI: 10.7270/Q2FQ9XPF
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Tested against 5 alpha R-2 on human prostate homogenate from surgically derived benign hyperplastic tissue in experiment 2				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092485 (4-methyl-8-chloro-1,2,5,6-tetrahydro pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(Cl)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C14H14ClNO/c1-9-12-4-2-10-8-11(15)3-5-13(10)16(12)7-6-14(9)17/h3,5,8H,2,4,6-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50032762 ((4aR,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...) Show SMILES CN1C2CCc3cc(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 PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Inhibition of human Steroid 5-alpha-reductase type I				Bioorg Med Chem Lett 10: 353-6 (2000) BindingDB Entry DOI: 10.7270/Q2K35SVJ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149341 (8-Bromo-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]q...) Show SMILES CC1=C2CCc3cc(Br)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C14H14BrNO/c1-9-12-4-2-10-8-11(15)3-5-13(10)16(12)7-6-14(9)17/h3,5,8H,2,4,6-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092506 (4,6-dimethyl-8-chloro-1,2,5,6-tetrahydro pyrido[1,...) Show SMILES CC1CC2=C(C)C(=O)CCN2c2ccc(Cl)cc12 |c:3| Show InChI InChI=1S/C15H16ClNO/c1-9-7-14-10(2)15(18)5-6-17(14)13-4-3-11(16)8-12(9)13/h3-4,8-9H,5-7H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149339 (4-Methyl-8-phenylethynyl-1,2,5,6-tetrahydro-pyrido...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C#Cc1ccccc1 |c:1| Show InChI InChI=1S/C22H19NO/c1-16-20-12-10-19-15-18(8-7-17-5-3-2-4-6-17)9-11-21(19)23(20)14-13-22(16)24/h2-6,9,11,15H,10,12-14H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.75	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Tested against 5 alpha R-2 on human prostate homogenate from surgically derived benign hyperplastic tissue in experiment 1				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149329 (8-Ethyl-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]q...) Show SMILES CCc1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:12| Show InChI InChI=1S/C16H19NO/c1-3-12-4-6-15-13(10-12)5-7-14-11(2)16(18)8-9-17(14)15/h4,6,10H,3,5,7-9H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50085567 ((R)-8-Chloro-6-methyl-1,2,5,6-tetrahydro-pyrido[1,...) Show SMILES C[C@@H]1CC2=CC(=O)CCN2c2ccc(Cl)cc12 |t:3| Show InChI InChI=1S/C14H14ClNO/c1-9-6-11-8-12(17)4-5-16(11)14-3-2-10(15)7-13(9)14/h2-3,7-9H,4-6H2,1H3/t9-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Inhibition of human Steroid 5-alpha-reductase type I				Bioorg Med Chem Lett 10: 353-6 (2000) BindingDB Entry DOI: 10.7270/Q2K35SVJ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50149324 (4-Methyl-8-((Z)-styryl)-1,2,5,6-tetrahydro-pyrido[...) Show SMILES CC1=C2CCc3cc(\C=C/c4ccccc4)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C22H21NO/c1-16-20-12-10-19-15-18(8-7-17-5-3-2-4-6-17)9-11-21(19)23(20)14-13-22(16)24/h2-9,11,15H,10,12-14H2,1H3/b8-7-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092489 (6-methyl-8-chloro-1,2,5,6-tetrahydro pyrido[1,2-a]...) Show SMILES CC1CC2=CC(=O)CCN2c2ccc(Cl)cc12 |t:3| Show InChI InChI=1S/C14H14ClNO/c1-9-6-11-8-12(17)4-5-16(11)14-3-2-10(15)7-13(9)14/h2-3,7-9H,4-6H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14.4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair
Integrin alpha-V (Homo sapiens (Human))	BDBM50276746 (CHEMBL452724 | c[RGDf-(3S)-Carboxymorpholine]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#8]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H36N8O8/c27-26(28)29-8-4-7-16-22(38)30-13-20(35)31-17(12-21(36)37)23(39)33-18(11-15-5-2-1-3-6-15)25(41)34-9-10-42-14-19(34)24(40)32-16/h1-3,5-6,16-19H,4,7-14H2,(H,30,38)(H,31,35)(H,32,40)(H,33,39)(H,36,37)(H4,27,28,29)/t16-,17-,18+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor in human placenta by microplate scintillation counter				Bioorg Med Chem 17: 1542-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.006 BindingDB Entry DOI: 10.7270/Q2NC613B
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092500 (4,5-dimethyl-8-chloro-1,2,5,6-tetrahydro pyrido[1,...) Show SMILES CC1Cc2cc(Cl)ccc2N2CCC(=O)C(C)=C12 |t:17| Show InChI InChI=1S/C15H16ClNO/c1-9-7-11-8-12(16)3-4-13(11)17-6-5-14(18)10(2)15(9)17/h3-4,8-9H,5-7H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092503 (4,6-dimethyl-8-methyl-1,2,5,6-tetrahydro pyrido[1,...) Show SMILES CC1CC2=C(C)C(=O)CCN2c2ccc(C)cc12 |c:3| Show InChI InChI=1S/C16H19NO/c1-10-4-5-14-13(8-10)11(2)9-15-12(3)16(18)6-7-17(14)15/h4-5,8,11H,6-7,9H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair
Integrin alpha-V (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	18.9	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta3 receptor in human placenta by microplate scintillation counter				Bioorg Med Chem 17: 1542-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.006 BindingDB Entry DOI: 10.7270/Q2NC613B
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092492 (4,8-Dimethyl-1,2,5,6-tetrahydro-pyrido[1,2-a]quino...) Show SMILES CC1=C2CCc3cc(C)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C15H17NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h3,5,9H,4,6-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...				J Med Chem 47: 3546-60 (2004) Article DOI: 10.1021/jm031131o BindingDB Entry DOI: 10.7270/Q24J0DKZ
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50092492 (4,8-Dimethyl-1,2,5,6-tetrahydro-pyrido[1,2-a]quino...) Show SMILES CC1=C2CCc3cc(C)ccc3N2CCC1=O |c:1| Show InChI InChI=1S/C15H17NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h3,5,9H,4,6-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 43: 3718-35 (2000) BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair

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