BDBM287640 US10085984, Example 18

SMILES: CC(C)NC(=O)CN1CCN(CC1)c1cc(cnn1)-c1nc2ccc(F)cc2n1C1CC1

InChI Key: InChIKey=ONSJCCXFXPNDGK-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 = 287640   

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))	BDBM287640 (US10085984, Example 18 | US11040034, Ex. No. 18) Show SMILES CC(C)NC(=O)CN1CCN(CC1)c1cc(cnn1)-c1nc2ccc(F)cc2n1C1CC1 Show InChI InChI=1S/C23H28FN7O/c1-15(2)26-22(32)14-29-7-9-30(10-8-29)21-11-16(13-25-28-21)23-27-19-6-3-17(24)12-20(19)31(23)18-4-5-18/h3,6,11-13,15,18H,4-5,7-10,14H2,1-2H3,(H,26,32)	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))	BDBM287640 (US10085984, Example 18 | US11040034, Ex. No. 18) Show SMILES CC(C)NC(=O)CN1CCN(CC1)c1cc(cnn1)-c1nc2ccc(F)cc2n1C1CC1 Show InChI InChI=1S/C23H28FN7O/c1-15(2)26-22(32)14-29-7-9-30(10-8-29)21-11-16(13-25-28-21)23-27-19-6-3-17(24)12-20(19)31(23)18-4-5-18/h3,6,11-13,15,18H,4-5,7-10,14H2,1-2H3,(H,26,32)	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))	BDBM287640 (US10085984, Example 18 | US11040034, Ex. No. 18) Show SMILES CC(C)NC(=O)CN1CCN(CC1)c1cc(cnn1)-c1nc2ccc(F)cc2n1C1CC1 Show InChI InChI=1S/C23H28FN7O/c1-15(2)26-22(32)14-29-7-9-30(10-8-29)21-11-16(13-25-28-21)23-27-19-6-3-17(24)12-20(19)31(23)18-4-5-18/h3,6,11-13,15,18H,4-5,7-10,14H2,1-2H3,(H,26,32)	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))	BDBM287640 (US10085984, Example 18 | US11040034, Ex. No. 18) Show SMILES CC(C)NC(=O)CN1CCN(CC1)c1cc(cnn1)-c1nc2ccc(F)cc2n1C1CC1 Show InChI InChI=1S/C23H28FN7O/c1-15(2)26-22(32)14-29-7-9-30(10-8-29)21-11-16(13-25-28-21)23-27-19-6-3-17(24)12-20(19)31(23)18-4-5-18/h3,6,11-13,15,18H,4-5,7-10,14H2,1-2H3,(H,26,32)	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