Compile Data Set for Download or QSAR

Found 9 hits of ic50 data for polymerid = 50000929   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aromatase (Rattus norvegicus)	BDBM50014315 ((rac)-6-((4-chlorophenyl)(1H-1,2,4-triazol-1-yl)me...) Show SMILES Cn1nnc2ccc(cc12)C(c1ccc(Cl)cc1)n1cncn1 Show InChI InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	BDBM50049763 (2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...) Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13| Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
American University of Ras Al Khaimah Curated by ChEMBL					Assay Description Inhibition of rat ovarian aromatase				Eur J Med Chem 102: 375-86 (2015) Article DOI: 10.1016/j.ejmech.2015.08.010 BindingDB Entry DOI: 10.7270/Q2ZC84Q6
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	BDBM50123022 (CHEMBL169251) Show SMILES O=C1\C(CCc2ccccc12)=C/c1c[nH]cn1 Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)/b11-7-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
American University of Ras Al Khaimah Curated by ChEMBL					Assay Description Inhibition of rat ovarian aromatase				Eur J Med Chem 102: 375-86 (2015) Article DOI: 10.1016/j.ejmech.2015.08.010 BindingDB Entry DOI: 10.7270/Q2ZC84Q6
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	BDBM50035204 (4-(6-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...) Show SMILES COc1ccc2CCC3C(C3c2c1)c1ccncc1 Show InChI InChI=1S/C17H17NO/c1-19-13-4-2-11-3-5-14-16(17(14)15(11)10-13)12-6-8-18-9-7-12/h2,4,6-10,14,16-17H,3,5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
Universität des Saarlandes Curated by ChEMBL					Assay Description In vitro inhibition of rat ovarian microsomal Cytochrome P450 19A1				J Med Chem 38: 2103-11 (1995) BindingDB Entry DOI: 10.7270/Q2NV9H9S
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	BDBM50009606 (5-Hydroxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...) Show SMILES Oc1cccc2C(=O)C(Cc3ccncc3)CCc12 Show InChI InChI=1S/C16H15NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-9,12,18H,4-5,10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universität des Saarlandes Curated by ChEMBL					Assay Description In vitro inhibition of rat ovarian aromatase cytochrome P450 19A1				J Med Chem 34: 2685-91 (1991) BindingDB Entry DOI: 10.7270/Q2ST7NT9
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	BDBM50009605 (2-(pyridin-4-ylmethylene)-3,4-dihydronaphthalen-1(...) Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccncc1 Show InChI InChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-11H,5-6H2/b14-11+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
American University of Ras Al Khaimah Curated by ChEMBL					Assay Description Inhibition of rat ovarian aromatase				Eur J Med Chem 102: 375-86 (2015) Article DOI: 10.1016/j.ejmech.2015.08.010 BindingDB Entry DOI: 10.7270/Q2ZC84Q6
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universität des Saarlandes Curated by ChEMBL					Assay Description In vitro inhibition of rat ovarian microsomal Cytochrome P450 19A1				J Med Chem 38: 2103-11 (1995) BindingDB Entry DOI: 10.7270/Q2NV9H9S
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	BDBM50009618 (5-Methoxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...) Show SMILES COc1cccc2C(=O)C(Cc3ccncc3)CCc12 Show InChI InChI=1S/C17H17NO2/c1-20-16-4-2-3-15-14(16)6-5-13(17(15)19)11-12-7-9-18-10-8-12/h2-4,7-10,13H,5-6,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universität des Saarlandes Curated by ChEMBL					Assay Description In vitro inhibition of rat ovarian aromatase cytochrome P450 19A1				J Med Chem 34: 2685-91 (1991) BindingDB Entry DOI: 10.7270/Q2ST7NT9
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität des Saarlandes Curated by ChEMBL					Assay Description Inhibition of rat ovarian Cytochrome P450 19A				J Med Chem 34: 2685-91 (1991) BindingDB Entry DOI: 10.7270/Q2ST7NT9
					More data for this Ligand-Target Pair