BDBM287758 US10085984, Example 136

SMILES: CC(F)c1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N

InChI Key: InChIKey=CUGKFJVJXRQNNT-UHFFFAOYSA-N

Data: 2 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 = 287758   

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 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM287758 (US10085984, Example 136 | US11040034, Ex. No. 136) Show SMILES CC(F)c1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N Show InChI InChI=1S/C17H14FN5/c1-10(18)15-7-12(9-20-22-15)17-21-14-5-2-11(8-19)6-16(14)23(17)13-3-4-13/h2,5-7,9-10,13H,3-4H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Viamet Pharmaceuticals (Bermuda), Ltd. US Patent					Assay Description V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...				US Patent US10085984 (2018) BindingDB Entry DOI: 10.7270/Q2542QM2
					More data for this Ligand-Target Pair
Cytochrome P450 11B1 (Homo sapiens (Human))	BDBM287758 (US10085984, Example 136 | US11040034, Ex. No. 136) Show SMILES CC(F)c1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N Show InChI InChI=1S/C17H14FN5/c1-10(18)15-7-12(9-20-22-15)17-21-14-5-2-11(8-19)6-16(14)23(17)13-3-4-13/h2,5-7,9-10,13H,3-4H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (Homo sapiens (Human))	BDBM287758 (US10085984, Example 136 | US11040034, Ex. No. 136) Show SMILES CC(F)c1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N Show InChI InChI=1S/C17H14FN5/c1-10(18)15-7-12(9-20-22-15)17-21-14-5-2-11(8-19)6-16(14)23(17)13-3-4-13/h2,5-7,9-10,13H,3-4H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM287758 (US10085984, Example 136 | US11040034, Ex. No. 136) Show SMILES CC(F)c1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N Show InChI InChI=1S/C17H14FN5/c1-10(18)15-7-12(9-20-22-15)17-21-14-5-2-11(8-19)6-16(14)23(17)13-3-4-13/h2,5-7,9-10,13H,3-4H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Viamet Pharmaceuticals (Bermuda), Ltd. US Patent					Assay Description V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...				US Patent US10085984 (2018) BindingDB Entry DOI: 10.7270/Q2542QM2
					More data for this Ligand-Target Pair