BindingDB PrimarySearch

null

SMILES: N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12

InChI Key: InChIKey=CLPFFLWZZBQMAO-AWEZNQCLSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 9920
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Aromatase (Homo sapiens (Human))	BDBM9920 ((S)Fadrozole \| 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...) Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Ltd Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1				J Med Chem 36: 1393-400 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FR9
CIBA-GEIGY Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9920 ((S)Fadrozole \| 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...) Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.4	30
University of Bologna					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 48: 7282-9 (2005) Article DOI: 10.1021/jm058042r BindingDB Entry DOI: 10.7270/Q2JS9NN9
University of Bologna					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM9920 ((S)Fadrozole \| 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...) Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 \|r\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human aldosterone synthase expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticost...				J Med Chem 57: 5011-22 (2014) Article DOI: 10.1021/jm401430e BindingDB Entry DOI: 10.7270/Q2QR4ZRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM9920 ((S)Fadrozole \| 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...) Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Eindhoven University of Technology Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in chinese hamster V79 cells				J Med Chem 53: 1712-25 (2010) Article DOI: 10.1021/jm901356d BindingDB Entry DOI: 10.7270/Q2XS5VGF
Eindhoven University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM9920 ((S)Fadrozole \| 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...) Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 \|r\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Eindhoven University of Technology Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in chinese hamster V79 cells				J Med Chem 53: 1712-25 (2010) Article DOI: 10.1021/jm901356d BindingDB Entry DOI: 10.7270/Q2XS5VGF
Eindhoven University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM9920 ((S)Fadrozole \| 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...) Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticosterone for 3 h...				J Med Chem 57: 5011-22 (2014) Article DOI: 10.1021/jm401430e BindingDB Entry DOI: 10.7270/Q2QR4ZRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM9920 ((S)Fadrozole \| 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...) Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	37
University of Bologna					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 48: 7282-9 (2005) Article DOI: 10.1021/jm058042r BindingDB Entry DOI: 10.7270/Q2JS9NN9
University of Bologna					More data for this Ligand-Target Pair