Compile Data Set for Download or QSAR

Found 836 hits with Last Name = 'meier' and Initial = 'r'   

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
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562760 (CHEMBL4750447) Show SMILES Cl.CCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562761 (CHEMBL4782021) Show SMILES Cl.CCCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562759 (CHEMBL4783605) Show SMILES Cl.CCCCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562758 (CHEMBL4755938) Show SMILES Cl.CCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562757 (CHEMBL3814580) Show SMILES Cl.CCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50177006 (CHEMBL3814849) Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c1 |r| Show InChI InChI=1S/C25H22F3N5O2.ClH/c26-25(27,28)19-8-3-15(4-9-19)14-34-20-10-7-16-12-18(6-5-17(16)13-20)22-31-23(35-32-22)21-2-1-11-33(21)24(29)30;/h3-10,12-13,21H,1-2,11,14H2,(H3,29,30);1H/t21-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive-inhibition of recombinant human C-terminal His6-tagged Sphk1 expressed in baculovirus infected Sf21 insect cells using varying levels of ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50126591 (7-Hydroxy-3-(4-hydroxy-phenyl)-2-[4-(2-piperidin-1...) Show SMILES Oc1ccc(cc1)-c1c(oc2cc(O)ccc2c1=O)C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H27NO6/c31-21-8-4-19(5-9-21)26-28(34)24-13-10-22(32)18-25(24)36-29(26)27(33)20-6-11-23(12-7-20)35-17-16-30-14-2-1-3-15-30/h4-13,18,31-32H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity for Estrogen receptor alpha				Bioorg Med Chem Lett 13: 1475-8 (2003) BindingDB Entry DOI: 10.7270/Q2KD1X9M
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562757 (CHEMBL3814580) Show SMILES Cl.CCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562759 (CHEMBL4783605) Show SMILES Cl.CCCCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562760 (CHEMBL4750447) Show SMILES Cl.CCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562758 (CHEMBL4755938) Show SMILES Cl.CCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50285628 ((7R,10R,13S)-7-(4-Amino-phenylsulfanyl)-10,13-dime...) Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)C=C[C@]31C)Sc1ccc(N)cc1 |c:19,t:15| Show InChI InChI=1S/C25H29NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,9,11,13,19-21,23H,7-8,10,12,14,26H2,1-2H3/t19?,20?,21-,23?,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of aromatase cytochrome P450 19A1				Bioorg Med Chem Lett 5: 2513-2516 (1995) Article DOI: 10.1016/0960-894X(95)00440-5 BindingDB Entry DOI: 10.7270/Q28915TD
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562761 (CHEMBL4782021) Show SMILES Cl.CCCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50032234 ((R)-10,13-Dimethyl-7-phenethyl-1,6,7,8,9,10,11,12,...) Show SMILES CC12CCC3C(C1CCC2=O)[C@H](CCc1ccccc1)CC1=CC(=O)CCC31C |t:24| Show InChI InChI=1S/C27H34O2/c1-26-14-12-21(28)17-20(26)16-19(9-8-18-6-4-3-5-7-18)25-22-10-11-24(29)27(22,2)15-13-23(25)26/h3-7,17,19,22-23,25H,8-16H2,1-2H3/t19-,22?,23?,25?,26?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Apparent binding affinity for human placental Cytochrome P450 19A1				J Med Chem 38: 2842-50 (1995) BindingDB Entry DOI: 10.7270/Q29W0DH2
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50285627 ((7R,10R,13S)-7-Benzyl-10,13-dimethyl-1,6,7,8,9,10,...) Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@H](Cc1ccccc1)CC1=CC(=O)CC[C@]31C |t:23| Show InChI InChI=1S/C26H32O2/c1-25-12-10-20(27)16-19(25)15-18(14-17-6-4-3-5-7-17)24-21-8-9-23(28)26(21,2)13-11-22(24)25/h3-7,16,18,21-22,24H,8-15H2,1-2H3/t18-,21?,22?,24?,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	13.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of aromatase cytochrome P450 19A1				Bioorg Med Chem Lett 5: 2513-2516 (1995) Article DOI: 10.1016/0960-894X(95)00440-5 BindingDB Entry DOI: 10.7270/Q28915TD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50285626 ((7R,10R,13S)-10,13-Dimethyl-7-phenethyl-1,6,7,8,9,...) Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@H](CCc1ccccc1)CC1=CC(=O)CC[C@]31C |t:24| Show InChI InChI=1S/C27H34O2/c1-26-14-12-21(28)17-20(26)16-19(9-8-18-6-4-3-5-7-18)25-22-10-11-24(29)27(22,2)15-13-23(25)26/h3-7,17,19,22-23,25H,8-16H2,1-2H3/t19-,22?,23?,25?,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	16.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of aromatase cytochrome P450 19A1				Bioorg Med Chem Lett 5: 2513-2516 (1995) Article DOI: 10.1016/0960-894X(95)00440-5 BindingDB Entry DOI: 10.7270/Q28915TD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50032231 ((R)-10,13-Dimethyl-7-(3-phenyl-propyl)-1,6,7,8,9,1...) Show SMILES CC12CCC3C(C1CCC2=O)[C@H](CCCc1ccccc1)CC1=CC(=O)CCC31C |t:25| Show InChI InChI=1S/C28H36O2/c1-27-15-13-22(29)18-21(27)17-20(10-6-9-19-7-4-3-5-8-19)26-23-11-12-25(30)28(23,2)16-14-24(26)27/h3-5,7-8,18,20,23-24,26H,6,9-17H2,1-2H3/t20-,23?,24?,26?,27?,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Apparent binding affinity for human placental Cytochrome P450 19A1				J Med Chem 38: 2842-50 (1995) BindingDB Entry DOI: 10.7270/Q29W0DH2
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50285629 ((7R,10R,13S)-7-(4-Amino-phenylsulfanyl)-10,13-dime...) Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(N)cc1 |t:15| Show InChI InChI=1S/C25H31NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14,26H2,1-2H3/t19?,20?,21-,23?,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of aromatase cytochrome P450 19A1				Bioorg Med Chem Lett 5: 2513-2516 (1995) Article DOI: 10.1016/0960-894X(95)00440-5 BindingDB Entry DOI: 10.7270/Q28915TD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50032228 (7-(4-Amino-phenylsulfanyl)-10,13-dimethyl-1,6,7,8,...) Show SMILES CC12CCC3C(C1CCC2=O)C(CC1=CC(=O)CCC31C)Sc1ccc(N)cc1 |t:15| Show InChI InChI=1S/C25H31NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Apparent binding affinity for human placental Cytochrome P450 19A1				J Med Chem 38: 2842-50 (1995) BindingDB Entry DOI: 10.7270/Q29W0DH2
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50010070 (CHEMBL3245357) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc(N)cc1 |r,t:18| Show InChI InChI=1S/C25H31NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14,26H2,1-2H3/t19-,20-,21+,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...				J Med Chem 21: 1007-11 (1979) BindingDB Entry DOI: 10.7270/Q2ZK5J6C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50032232 ((R)-7-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C1CCC2=O)[C@H](Cc1ccccc1)CC1=CC(=O)CCC31C |t:23| Show InChI InChI=1S/C26H32O2/c1-25-12-10-20(27)16-19(25)15-18(14-17-6-4-3-5-7-17)24-21-8-9-23(28)26(21,2)13-11-22(24)25/h3-7,16,18,21-22,24H,8-15H2,1-2H3/t18-,21?,22?,24?,25?,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Apparent binding affinity for human placental Cytochrome P450 19A1				J Med Chem 38: 2842-50 (1995) BindingDB Entry DOI: 10.7270/Q29W0DH2
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50177006 (CHEMBL3814849) Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c1 |r| Show InChI InChI=1S/C25H22F3N5O2.ClH/c26-25(27,28)19-8-3-15(4-9-19)14-34-20-10-7-16-12-18(6-5-17(16)13-20)22-31-23(35-32-22)21-2-1-11-33(21)24(29)30;/h3-10,12-13,21H,1-2,11,14H2,(H3,29,30);1H/t21-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50010069 (CHEMBL3245356) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCc1ccc(OC)cc1 |r,t:18| Show InChI InChI=1S/C27H34O3S/c1-26-12-10-19(28)14-18(26)15-23(31-16-17-4-6-20(30-3)7-5-17)25-21-8-9-24(29)27(21,2)13-11-22(25)26/h4-7,14,21-23,25H,8-13,15-16H2,1-3H3/t21-,22-,23+,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...				J Med Chem 21: 1007-11 (1979) BindingDB Entry DOI: 10.7270/Q2ZK5J6C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50032229 ((7R,17S)-17-Hydroxy-10,13-dimethyl-7-phenethyl-1,2...) Show SMILES CC12CCC3C(C1CC[C@@H]2O)[C@H](CCc1ccccc1)CC1=CC(=O)CCC31C |t:24| Show InChI InChI=1S/C27H36O2/c1-26-14-12-21(28)17-20(26)16-19(9-8-18-6-4-3-5-7-18)25-22-10-11-24(29)27(22,2)15-13-23(25)26/h3-7,17,19,22-25,29H,8-16H2,1-2H3/t19-,22?,23?,24+,25?,26?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Apparent binding affinity for human placental Cytochrome P450 19A1				J Med Chem 38: 2842-50 (1995) BindingDB Entry DOI: 10.7270/Q29W0DH2
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9911 (3-Phenyl-7-(4-biphenylmethoxy)-2-[(4-pyridylmethyl...) Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)-c3ccccc3)ccc12 Show InChI InChI=1S/C34H25NO3S/c36-33-30-16-15-29(37-22-24-11-13-27(14-12-24)26-7-3-1-4-8-26)21-31(30)38-34(32(33)28-9-5-2-6-10-28)39-23-25-17-19-35-20-18-25/h1-21H,22-23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39	-44.0	79	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 6571-7 (2005) Article DOI: 10.1016/j.bmc.2005.07.038 BindingDB Entry DOI: 10.7270/Q2PK0DCK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50032233 ((7R,17S)-7-Benzyl-17-hydroxy-10,13-dimethyl-1,2,6,...) Show SMILES CC12CCC3C(C1CC[C@@H]2O)[C@H](Cc1ccccc1)CC1=CC(=O)CCC31C |t:23| Show InChI InChI=1S/C26H34O2/c1-25-12-10-20(27)16-19(25)15-18(14-17-6-4-3-5-7-17)24-21-8-9-23(28)26(21,2)13-11-22(24)25/h3-7,16,18,21-24,28H,8-15H2,1-2H3/t18-,21?,22?,23+,24?,25?,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Apparent binding affinity for human placental Cytochrome P450 19A1				J Med Chem 38: 2842-50 (1995) BindingDB Entry DOI: 10.7270/Q29W0DH2
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50032227 ((S)-10,13-Dimethyl-7-phenethyl-1,6,7,8,9,10,11,12,...) Show SMILES CC12CCC3C(C1CCC2=O)[C@@H](CCc1ccccc1)CC1=CC(=O)CCC31C |t:24| Show InChI InChI=1S/C27H34O2/c1-26-14-12-21(28)17-20(26)16-19(9-8-18-6-4-3-5-7-18)25-22-10-11-24(29)27(22,2)15-13-23(25)26/h3-7,17,19,22-23,25H,8-16H2,1-2H3/t19-,22?,23?,25?,26?,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Apparent binding affinity for human placental Cytochrome P450 19A1				J Med Chem 38: 2842-50 (1995) BindingDB Entry DOI: 10.7270/Q29W0DH2
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50032230 ((S)-7-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C1CCC2=O)[C@@H](Cc1ccccc1)CC1=CC(=O)CCC31C |t:23| Show InChI InChI=1S/C26H32O2/c1-25-12-10-20(27)16-19(25)15-18(14-17-6-4-3-5-7-17)24-21-8-9-23(28)26(21,2)13-11-22(24)25/h3-7,16,18,21-22,24H,8-15H2,1-2H3/t18-,21?,22?,24?,25?,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Apparent binding affinity for human placental Cytochrome P450 19A1				J Med Chem 38: 2842-50 (1995) BindingDB Entry DOI: 10.7270/Q29W0DH2
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50010067 (CHEMBL3245348) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCCC |r,t:18| Show InChI InChI=1S/C23H34O2S/c1-4-5-12-26-19-14-15-13-16(24)8-10-22(15,2)18-9-11-23(3)17(21(18)19)6-7-20(23)25/h13,17-19,21H,4-12,14H2,1-3H3/t17-,18-,19+,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...				J Med Chem 21: 1007-11 (1979) BindingDB Entry DOI: 10.7270/Q2ZK5J6C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014562 (7-Benzyl-10,13-dimethyl-1,8,9,10,11,12,13,14,15,16...) Show SMILES CC12CCC3C(C1CCC2=O)C(Cc1ccccc1)=CC1=CC(=O)CCC31C |c:21,t:23| Show InChI InChI=1S/C26H30O2/c1-25-12-10-20(27)16-19(25)15-18(14-17-6-4-3-5-7-17)24-21-8-9-23(28)26(21,2)13-11-22(24)25/h3-7,15-16,21-22,24H,8-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50010068 (CHEMBL3245353) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCc1ccccc1 |r,t:18| Show InChI InChI=1S/C27H34O2S/c1-26-13-10-20(28)16-19(26)17-23(30-15-12-18-6-4-3-5-7-18)25-21-8-9-24(29)27(21,2)14-11-22(25)26/h3-7,16,21-23,25H,8-15,17H2,1-2H3/t21-,22-,23+,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...				J Med Chem 21: 1007-11 (1979) BindingDB Entry DOI: 10.7270/Q2ZK5J6C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50010071 (CHEMBL3245350) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCc1ccccc1 |r,t:18| Show InChI InChI=1S/C26H32O2S/c1-25-12-10-19(27)14-18(25)15-22(29-16-17-6-4-3-5-7-17)24-20-8-9-23(28)26(20,2)13-11-21(24)25/h3-7,14,20-22,24H,8-13,15-16H2,1-2H3/t20-,21-,22+,24-,25-,26-/m0/s1	PDB MMDB 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
TBA Curated by ChEMBL					Assay Description Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...				J Med Chem 21: 1007-11 (1979) BindingDB Entry DOI: 10.7270/Q2ZK5J6C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9903 (3-Phenyl-7-(beta-naphthylmethoxy)-2-[(4-pyridylmet...) Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc4ccccc4c3)ccc12 Show InChI InChI=1S/C32H23NO3S/c34-31-28-13-12-27(35-20-23-10-11-24-6-4-5-9-26(24)18-23)19-29(28)36-32(30(31)25-7-2-1-3-8-25)37-21-22-14-16-33-17-15-22/h1-19H,20-21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	74	-42.3	90	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 6571-7 (2005) Article DOI: 10.1016/j.bmc.2005.07.038 BindingDB Entry DOI: 10.7270/Q2PK0DCK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014565 (7-[2-(4-Amino-phenyl)-ethyl]-10,13-dimethyl-1,8,9,...) Show SMILES CC12CCC3C(C1CCC2=O)C(CCc1ccc(N)cc1)=CC1=CC(=O)CCC31C |c:23,t:25| Show InChI InChI=1S/C27H33NO2/c1-26-13-11-21(29)16-19(26)15-18(6-3-17-4-7-20(28)8-5-17)25-22-9-10-24(30)27(22,2)14-12-23(25)26/h4-5,7-8,15-16,22-23,25H,3,6,9-14,28H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014559 (7-(4-Amino-benzyl)-10,13-dimethyl-1,8,9,10,11,12,1...) Show SMILES CC12CCC3C(C1CCC2=O)C(Cc1ccc(N)cc1)=CC1=CC(=O)CCC31C |c:22,t:24| Show InChI InChI=1S/C26H31NO2/c1-25-11-9-20(28)15-18(25)14-17(13-16-3-5-19(27)6-4-16)24-21-7-8-23(29)26(21,2)12-10-22(24)25/h3-6,14-15,21-22,24H,7-13,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014560 (10,13-Dimethyl-7-(4-nitro-benzyl)-1,8,9,10,11,12,1...) Show SMILES CC12CCC3C(C1CCC2=O)C(Cc1ccc(cc1)[N+]([O-])=O)=CC1=CC(=O)CCC31C |c:24,t:26| Show InChI InChI=1S/C26H29NO4/c1-25-11-9-20(28)15-18(25)14-17(13-16-3-5-19(6-4-16)27(30)31)24-21-7-8-23(29)26(21,2)12-10-22(24)25/h3-6,14-15,21-22,24H,7-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014563 (10,13-Dimethyl-7-[2-(4-nitro-phenyl)-ethyl]-1,8,9,...) Show SMILES CC12CCC3C(C1CCC2=O)C(CCc1ccc(cc1)[N+]([O-])=O)=CC1=CC(=O)CCC31C |c:25,t:27| Show InChI InChI=1S/C27H31NO4/c1-26-13-11-21(29)16-19(26)15-18(6-3-17-4-7-20(8-5-17)28(31)32)25-22-9-10-24(30)27(22,2)14-12-23(25)26/h4-5,7-8,15-16,22-23,25H,3,6,9-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9902 (3-Phenyl-7-(alpha-naphthylmethoxy)-2-[(4-pyridylme...) Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12 Show InChI InChI=1S/C32H23NO3S/c34-31-28-14-13-26(35-20-25-11-6-10-23-7-4-5-12-27(23)25)19-29(28)36-32(30(31)24-8-2-1-3-9-24)37-21-22-15-17-33-18-16-22/h1-19H,20-21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	114	-41.2	112	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 6571-7 (2005) Article DOI: 10.1016/j.bmc.2005.07.038 BindingDB Entry DOI: 10.7270/Q2PK0DCK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014561 (10,13-Dimethyl-7-phenethyl-1,8,9,10,11,12,13,14,15...) Show SMILES CC12CCC3C(C1CCC2=O)C(CCc1ccccc1)=CC1=CC(=O)CCC31C |c:22,t:24| Show InChI InChI=1S/C27H32O2/c1-26-14-12-21(28)17-20(26)16-19(9-8-18-6-4-3-5-7-18)25-22-10-11-24(29)27(22,2)15-13-23(25)26/h3-7,16-17,22-23,25H,8-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9454 (7-(benzyloxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulf...) Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C28H21NO3S/c30-27-24-12-11-23(31-18-20-7-3-1-4-8-20)17-25(24)32-28(26(27)22-9-5-2-6-10-22)33-19-21-13-15-29-16-14-21/h1-17H,18-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	-39.5	210	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				J Med Chem 47: 4032-40 (2004) Article DOI: 10.1021/jm0306024 BindingDB Entry DOI: 10.7270/Q2RJ4GP7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9893 (2-(1H-Imidazol-1-yl)-3-phenyl-7-(benzyloxy)-4H-1-b...) Show SMILES O=c1c(-c2ccccc2)c(oc2cc(OCc3ccccc3)ccc12)-n1ccnc1 Show InChI InChI=1S/C25H18N2O3/c28-24-21-12-11-20(29-16-18-7-3-1-4-8-18)15-22(21)30-25(27-14-13-26-17-27)23(24)19-9-5-2-6-10-19/h1-15,17H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	-39.2	520	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 4063-70 (2005) Article DOI: 10.1016/j.bmc.2005.03.050 BindingDB Entry DOI: 10.7270/Q2TB154R
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9459 (7-Hydroxy-3-(4-methoxyphenyl)-2-[(4-pyridylmethyl)...) Show SMILES COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O Show InChI InChI=1S/C22H17NO4S/c1-26-17-5-2-15(3-6-17)20-21(25)18-7-4-16(24)12-19(18)27-22(20)28-13-14-8-10-23-11-9-14/h2-12,24H,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	260	-39.1	220	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				J Med Chem 47: 4032-40 (2004) Article DOI: 10.1021/jm0306024 BindingDB Entry DOI: 10.7270/Q2RJ4GP7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9458 (7-Hydroxy-3-(4-hydroxyphenyl)-2-[(4-pyridylmethyl)...) Show SMILES Oc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O Show InChI InChI=1S/C21H15NO4S/c23-15-3-1-14(2-4-15)19-20(25)17-6-5-16(24)11-18(17)26-21(19)27-12-13-7-9-22-10-8-13/h1-11,23-24H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	-38.6	280	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				J Med Chem 47: 4032-40 (2004) Article DOI: 10.1021/jm0306024 BindingDB Entry DOI: 10.7270/Q2RJ4GP7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9891 (2-(1H-Imidazol-1-yl)-7-methoxy-3-phenyl-4H-1-benzo...) Show SMILES COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)-n1ccnc1 Show InChI InChI=1S/C19H14N2O3/c1-23-14-7-8-15-16(11-14)24-19(21-10-9-20-12-21)17(18(15)22)13-5-3-2-4-6-13/h2-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	-36.6	770	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 4063-70 (2005) Article DOI: 10.1016/j.bmc.2005.03.050 BindingDB Entry DOI: 10.7270/Q2TB154R
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9449 (7-Methoxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4H-1-...) Show SMILES COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O Show InChI InChI=1S/C22H17NO3S/c1-25-17-7-8-18-19(13-17)26-22(27-14-15-9-11-23-12-10-15)20(21(18)24)16-5-3-2-4-6-16/h2-13H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	-35.9	1.60E+3	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				J Med Chem 47: 4032-40 (2004) Article DOI: 10.1021/jm0306024 BindingDB Entry DOI: 10.7270/Q2RJ4GP7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9452 (7-Methoxy-3-(4-methylphenyl)-2-[(4-pyridylmethyl)-...) Show SMILES COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccc(C)cc1)c2=O Show InChI InChI=1S/C23H19NO3S/c1-15-3-5-17(6-4-15)21-22(25)19-8-7-18(26-2)13-20(19)27-23(21)28-14-16-9-11-24-12-10-16/h3-13H,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	-35.2	3.00E+3	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				J Med Chem 47: 4032-40 (2004) Article DOI: 10.1021/jm0306024 BindingDB Entry DOI: 10.7270/Q2RJ4GP7
					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 Article PubMed	1.41E+3	-34.7	2.80E+3	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 4063-70 (2005) Article DOI: 10.1016/j.bmc.2005.03.050 BindingDB Entry DOI: 10.7270/Q2TB154R
					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 Article PubMed	1.41E+3	-34.7	2.80E+3	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 6571-7 (2005) Article DOI: 10.1016/j.bmc.2005.07.038 BindingDB Entry DOI: 10.7270/Q2PK0DCK
					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 Article PubMed	1.41E+3	-34.7	2.80E+3	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				J Med Chem 47: 4032-40 (2004) Article DOI: 10.1021/jm0306024 BindingDB Entry DOI: 10.7270/Q2RJ4GP7
					More data for this Ligand-Target Pair

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