Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 455.5 BDBM622077

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM622077 (US20230312550, Example 37) Show SMILES CC1(CF)CCN(CC1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM622077 (US20230312550, Example 37) Show SMILES CC1(CF)CCN(CC1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Presequence protease, mitochondrial (Homo sapiens (Human))	BDBM622077 (US20230312550, Example 37) Show SMILES CC1(CF)CCN(CC1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM622077 (US20230312550, Example 37) Show SMILES CC1(CF)CCN(CC1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	n/a	0.0000300	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM622077 (US20230312550, Example 37) Show SMILES CC1(CF)CCN(CC1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM622077 (US20230312550, Example 37) Show SMILES CC1(CF)CCN(CC1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	n/a	n/a	1.00E+6	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair