Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50008016   

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))	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	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition constant for human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50070095 (3-Phenyl-2-[1-pyridin-4-yl-meth-(Z)-ylidene]-indan...) Show SMILES O=C1\C(=C/c2ccncc2)C(c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H15NO/c23-21-18-9-5-4-8-17(18)20(16-6-2-1-3-7-16)19(21)14-15-10-12-22-13-11-15/h1-14,20H/b19-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition constant for human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50070097 ((Z)-6-(4-chlorophenyl)-7-(pyridin-4-ylmethylene)-6...) Show SMILES Clc1ccc(cc1)C1Cn2cccc2C(=O)\C1=C/c1ccncc1 Show InChI InChI=1S/C20H15ClN2O/c21-16-5-3-15(4-6-16)18-13-23-11-1-2-19(23)20(24)17(18)12-14-7-9-22-10-8-14/h1-12,18H,13H2/b17-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition constant for human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50215414 (CHEMBL1096024 | MR-20814) Show SMILES COc1ccc2C(=O)C(CC3=CCNC=C3)=C(N)c2c1 |c:14,t:10,16| Show InChI InChI=1S/C16H16N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-6,9,18H,7-8,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition constant for human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					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	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition of human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50070097 ((Z)-6-(4-chlorophenyl)-7-(pyridin-4-ylmethylene)-6...) Show SMILES Clc1ccc(cc1)C1Cn2cccc2C(=O)\C1=C/c1ccncc1 Show InChI InChI=1S/C20H15ClN2O/c21-16-5-3-15(4-6-16)18-13-23-11-1-2-19(23)20(24)17(18)12-14-7-9-22-10-8-14/h1-12,18H,13H2/b17-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition of human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50070095 (3-Phenyl-2-[1-pyridin-4-yl-meth-(Z)-ylidene]-indan...) Show SMILES O=C1\C(=C/c2ccncc2)C(c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H15NO/c23-21-18-9-5-4-8-17(18)20(16-6-2-1-3-7-16)19(21)14-15-10-12-22-13-11-15/h1-14,20H/b19-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition of human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50215414 (CHEMBL1096024 | MR-20814) Show SMILES COc1ccc2C(=O)C(CC3=CCNC=C3)=C(N)c2c1 |c:14,t:10,16| Show InChI InChI=1S/C16H16N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-6,9,18H,7-8,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition of human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair