BDBM50239789 CHEMBL4097298

SMILES: COc1cncc(Cc2cc(no2)-c2ccccc2)c1

InChI Key: InChIKey=RHNYFVBEYUTJIM-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50239789   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 11B (Rattus norvegicus)	BDBM50239789 (CHEMBL4097298) Show SMILES COc1cncc(Cc2cc(no2)-c2ccccc2)c1 Show InChI InChI=1S/C16H14N2O2/c1-19-15-8-12(10-17-11-15)7-14-9-16(18-20-14)13-5-3-2-4-6-13/h2-6,8-11H,7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of rat CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis				J Med Chem 60: 5086-5098 (2017) Article DOI: 10.1021/acs.jmedchem.7b00437 BindingDB Entry DOI: 10.7270/Q24F1SWW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50239789 (CHEMBL4097298) Show SMILES COc1cncc(Cc2cc(no2)-c2ccccc2)c1 Show InChI InChI=1S/C16H14N2O2/c1-19-15-8-12(10-17-11-15)7-14-9-16(18-20-14)13-5-3-2-4-6-13/h2-6,8-11H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description The compound was tested for the ability to displace Opioid receptor mu 1 specific radioligand [3H]DAGO				J Med Chem 60: 5086-5098 (2017) Article DOI: 10.1021/acs.jmedchem.7b00437 BindingDB Entry DOI: 10.7270/Q24F1SWW
					More data for this Ligand-Target Pair
Cytochrome P450 11B1 (Homo sapiens (Human))	BDBM50239789 (CHEMBL4097298) Show SMILES COc1cncc(Cc2cc(no2)-c2ccccc2)c1 Show InChI InChI=1S/C16H14N2O2/c1-19-15-8-12(10-17-11-15)7-14-9-16(18-20-14)13-5-3-2-4-6-13/h2-6,8-11H,7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis				J Med Chem 60: 5086-5098 (2017) Article DOI: 10.1021/acs.jmedchem.7b00437 BindingDB Entry DOI: 10.7270/Q24F1SWW
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50239789 (CHEMBL4097298) Show SMILES COc1cncc(Cc2cc(no2)-c2ccccc2)c1 Show InChI InChI=1S/C16H14N2O2/c1-19-15-8-12(10-17-11-15)7-14-9-16(18-20-14)13-5-3-2-4-6-13/h2-6,8-11H,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis				J Med Chem 60: 5086-5098 (2017) Article DOI: 10.1021/acs.jmedchem.7b00437 BindingDB Entry DOI: 10.7270/Q24F1SWW
					More data for this Ligand-Target Pair