Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50035934   

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))	BDBM10044 ((2S,15S)-15-methyl-2-[(methylsulfanyl)methyl]tetra...) Show SMILES CSC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:8| Show InChI InChI=1S/C20H28O2S/c1-19-9-8-17-15(16(19)5-6-18(19)22)4-3-13-11-14(21)7-10-20(13,17)12-23-2/h11,15-17H,3-10,12H2,1-2H3/t15?,16?,17?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Aromatase inhibitor potency as iron-binding-related type II difference spectrum				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					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	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					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 PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Competitive inhibition of human placental Cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					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	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Aromatase inhibitor potency as iron-binding-related type II difference spectrum				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50368174 (CHEMBL1203762) Show SMILES N#Cc1ccc(cc1)C1CCc2cncn12 Show InChI InChI=1S/C13H11N3/c14-7-10-1-3-11(4-2-10)13-6-5-12-8-15-9-16(12)13/h1-4,8-9,13H,5-6H2	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	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					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	6.40	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50368173 (CHEMBL1203766) Show SMILES Brc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)13-3-1-2-12-8-15-9-16(12)13/h4-9,13H,1-3H2	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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50008725 (4-(6,7,8,9-Tetrahydro-5H-imidazo[1,5-a]azepin-5-yl...) Show SMILES N#Cc1ccc(cc1)C1CCCCc2cncn12 Show InChI InChI=1S/C15H15N3/c16-9-12-5-7-13(8-6-12)15-4-2-1-3-14-10-17-11-18(14)15/h5-8,10-11,15H,1-4H2	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	14	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50008726 (CHEMBL348913 | [4-(5,6,7,8-Tetrahydro-imidazo[1,5-...) Show SMILES OCc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H16N2O/c17-9-11-4-6-12(7-5-11)14-3-1-2-13-8-15-10-16(13)14/h4-8,10,14,17H,1-3,9H2	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	14	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50008729 (1-(4-Cyanobenzyl)-5-methyl-1H-imidazole | 4-(5-Met...) Show SMILES Cc1cncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C12H11N3/c1-10-7-14-9-15(10)8-12-4-2-11(6-13)3-5-12/h2-5,7,9H,8H2,1H3	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	15	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50008733 (1-(4-Cyanobenzyl)-1H-imidazole | 4-((1H-imidazol-1...) Show SMILES N#Cc1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50368172 (CHEMBL1203757) Show SMILES Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H16N2/c1-11-5-7-12(8-6-11)14-4-2-3-13-9-15-10-16(13)14/h5-10,14H,2-4H2,1H3	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	18	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50368175 (CHEMBL1203760) Show SMILES CCOC(=O)c1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C16H18N2O2/c1-2-20-16(19)13-8-6-12(7-9-13)15-5-3-4-14-10-17-11-18(14)15/h6-11,15H,2-5H2,1H3	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	21	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					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	39	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					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	39	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50008724 (4-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-5-yl)-...) Show SMILES N#CCCCC1CCCc2cncn12 Show InChI InChI=1S/C11H15N3/c12-7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h8-10H,1-6H2	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	93	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Rattus norvegicus)	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of ACTH-stimulated aldosterone production in rat adrenal tissue				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50008730 (4-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-5-yl)-...) Show SMILES OC(=O)c1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H14N2O2/c17-14(18)11-6-4-10(5-7-11)13-3-1-2-12-8-15-9-16(12)13/h4-9,13H,1-3H2,(H,17,18)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					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 PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					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 PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (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 PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of progesterone production in hamster ovarian tissue				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Rattus norvegicus)	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of ACTH-stimulated corticosterone production in rat adrenal tissue				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
					More data for this Ligand-Target Pair