BDBM201027 US9540373, 16::US9879026, Example 16::USRE47636, Example 16

SMILES: Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2NC(=O)C3(CCNC3)c2c1

InChI Key: InChIKey=PPKDQAGFRUNTKU-YRMZYPIJSA-N

Data: 3 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 3 hits for monomerid = 201027   

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
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM201027 (US9540373, 16 | US9879026, Example 16 | USRE47636,...) Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2NC(=O)C3(CCNC3)c2c1 |r| Show InChI InChI=1S/C27H28FN5O2/c28-22-12-16(15-4-6-23-21(11-15)27(26(35)33-23)7-8-30-14-27)1-2-17(22)9-20(13-29)32-25(34)24-18-3-5-19(10-18)31-24/h1-2,4,6,11-12,18-20,24,30-31H,3,5,7-10,14H2,(H,32,34)(H,33,35)/t18-,19+,20-,24-,27?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...				US Patent US9540373 (2017) BindingDB Entry DOI: 10.7270/Q2NK3C6R
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM201027 (US9540373, 16 | US9879026, Example 16 | USRE47636,...) Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2NC(=O)C3(CCNC3)c2c1 |r| Show InChI InChI=1S/C27H28FN5O2/c28-22-12-16(15-4-6-23-21(11-15)27(26(35)33-23)7-8-30-14-27)1-2-17(22)9-20(13-29)32-25(34)24-18-3-5-19(10-18)31-24/h1-2,4,6,11-12,18-20,24,30-31H,3,5,7-10,14H2,(H,32,34)(H,33,35)/t18-,19+,20-,24-,27?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Microtiterplates (Optiplate-384 F) were purchased from PerkinElmer (Prod. No. 10 6007270). The substrate Gly-Arg-AMC was from Biotrend (Pr...				US Patent USRE47636 (2019) BindingDB Entry DOI: 10.7270/Q27D2XG4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM201027 (US9540373, 16 | US9879026, Example 16 | USRE47636,...) Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2NC(=O)C3(CCNC3)c2c1 |r| Show InChI InChI=1S/C27H28FN5O2/c28-22-12-16(15-4-6-23-21(11-15)27(26(35)33-23)7-8-30-14-27)1-2-17(22)9-20(13-29)32-25(34)24-18-3-5-19(10-18)31-24/h1-2,4,6,11-12,18-20,24,30-31H,3,5,7-10,14H2,(H,32,34)(H,33,35)/t18-,19+,20-,24-,27?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Assay conditions: The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in...				US Patent US9879026 (2018) BindingDB Entry DOI: 10.7270/Q2K0768M
					More data for this Ligand-Target Pair