Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50026677   

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))	BDBM10015 (2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N Show InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes				Bioorg Med Chem Lett 18: 4713-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.094 BindingDB Entry DOI: 10.7270/Q2HD7VF7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50262164 (CHEMBL469260 | rac-4-[(1H-imidazol-1-yl)(1H-indol-...) Show SMILES N#Cc1ccc(cc1)C(c1ccc2cc[nH]c2c1)n1ccnc1 Show InChI InChI=1S/C19H14N4/c20-12-14-1-3-16(4-2-14)19(23-10-9-21-13-23)17-6-5-15-7-8-22-18(15)11-17/h1-11,13,19,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes				Bioorg Med Chem Lett 18: 4713-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.094 BindingDB Entry DOI: 10.7270/Q2HD7VF7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM13061 (4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...) Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes				Bioorg Med Chem Lett 18: 4713-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.094 BindingDB Entry DOI: 10.7270/Q2HD7VF7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50262166 (4-[(1H-imidazol-1-yl)(1H-indol-4-yl)methyl]benzoni...) Show SMILES N#Cc1ccc(cc1)C(c1cccc2[nH]ccc12)n1ccnc1 Show InChI InChI=1S/C19H14N4/c20-12-14-4-6-15(7-5-14)19(23-11-10-21-13-23)17-2-1-3-18-16(17)8-9-22-18/h1-11,13,19,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes				Bioorg Med Chem Lett 18: 4713-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.094 BindingDB Entry DOI: 10.7270/Q2HD7VF7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50179639 (4-((1H-imidazol-1-yl)(1H-indol-5-yl)methyl)benzoni...) Show SMILES N#Cc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1 Show InChI InChI=1S/C19H14N4/c20-12-14-1-3-15(4-2-14)19(23-10-9-21-13-23)17-5-6-18-16(11-17)7-8-22-18/h1-11,13,19,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes				Bioorg Med Chem Lett 18: 4713-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.094 BindingDB Entry DOI: 10.7270/Q2HD7VF7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes				Bioorg Med Chem Lett 18: 4713-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.094 BindingDB Entry DOI: 10.7270/Q2HD7VF7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50262165 (4-[(1H-indol-6-yl)(1H-1,2,4-triazol-1-yl)methyl]be...) Show SMILES N#Cc1ccc(cc1)C(c1ccc2cc[nH]c2c1)n1cncn1 Show InChI InChI=1S/C18H13N5/c19-10-13-1-3-15(4-2-13)18(23-12-20-11-22-23)16-6-5-14-7-8-21-17(14)9-16/h1-9,11-12,18,21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.8	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes				Bioorg Med Chem Lett 18: 4713-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.094 BindingDB Entry DOI: 10.7270/Q2HD7VF7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50262221 (4-((1H-indol-4-yl)(1H-1,2,4-triazol-1-yl)methyl)be...) Show SMILES N#Cc1ccc(cc1)C(c1cccc2[nH]ccc12)n1cncn1 Show InChI InChI=1S/C18H13N5/c19-10-13-4-6-14(7-5-13)18(23-12-20-11-22-23)16-2-1-3-17-15(16)8-9-21-17/h1-9,11-12,18,21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes				Bioorg Med Chem Lett 18: 4713-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.094 BindingDB Entry DOI: 10.7270/Q2HD7VF7
					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	n/a	n/a	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes				Bioorg Med Chem Lett 18: 4713-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.094 BindingDB Entry DOI: 10.7270/Q2HD7VF7
					More data for this Ligand-Target Pair