Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 7811   

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
Cytochrome P450 11B2, mitochondrial (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	18.7	n/a	n/a	n/a	n/a	7.4	32
UNIVERSITAT DES SAARLANDES US Patent					Assay Description A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	28.3	n/a	n/a	n/a	n/a	7.4	32
UNIVERSITAT DES SAARLANDES US Patent					Assay Description A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8905 (3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...) Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1 Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	32
UNIVERSITAT DES SAARLANDES US Patent					Assay Description A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8904 (3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...) Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1 Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	164	n/a	n/a	n/a	n/a	7.4	32
UNIVERSITAT DES SAARLANDES US Patent					Assay Description A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8905 (3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...) Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1 Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	559	n/a	n/a	n/a	n/a	7.4	32
UNIVERSITAT DES SAARLANDES US Patent					Assay Description A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8904 (3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...) Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1 Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	7.4	32
UNIVERSITAT DES SAARLANDES US Patent					Assay Description A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8905 (3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...) Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1 Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	7.4	32
UNIVERSITAT DES SAARLANDES US Patent					Assay Description A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8904 (3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...) Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1 Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	7.4	32
UNIVERSITAT DES SAARLANDES US Patent					Assay Description A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	7.4	32
UNIVERSITAT DES SAARLANDES US Patent					Assay Description A suspension of fission yeast (S. pombe PE1) with a cell density of 3˙10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH ...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair				3D Structure (crystal)