BDBM287643 US10085984, Example 21

SMILES: CNc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1

InChI Key: InChIKey=WKRPTXNPXXPRGY-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 = 287643   

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))	BDBM287643 (US10085984, Example 21 | US11040034, Ex. No. 21) Show SMILES CNc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C15H13F2N5/c1-18-14-4-8(7-19-21-14)15-20-12-5-10(16)11(17)6-13(12)22(15)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,18,21)	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))	BDBM287643 (US10085984, Example 21 | US11040034, Ex. No. 21) Show SMILES CNc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C15H13F2N5/c1-18-14-4-8(7-19-21-14)15-20-12-5-10(16)11(17)6-13(12)22(15)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,18,21)	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))	BDBM287643 (US10085984, Example 21 | US11040034, Ex. No. 21) Show SMILES CNc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C15H13F2N5/c1-18-14-4-8(7-19-21-14)15-20-12-5-10(16)11(17)6-13(12)22(15)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,18,21)	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))	BDBM287643 (US10085984, Example 21 | US11040034, Ex. No. 21) Show SMILES CNc1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C15H13F2N5/c1-18-14-4-8(7-19-21-14)15-20-12-5-10(16)11(17)6-13(12)22(15)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,18,21)	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