BDBM14313 CRA24::N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)phenyl]methyl}-1,2,4-oxadiazol-3-yl)-1-oxo-4-(piperidin-4-yl)butan-2-yl]-3,4-difluorobenzamide

SMILES: Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CCNCC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1

InChI Key: InChIKey=FBDSRDKRKFLPQK-PMERELPUSA-N

Data: 2 KI

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 2 hits for monomerid = 14313   

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
Tryptase (Homo sapiens (Human))	BDBM14313 (CRA24 | N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-inden-2-y...) Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CCNCC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r| Show InChI InChI=1S/C35H35F2N5O4/c36-28-11-10-26(20-29(28)37)35(45)40-30(12-7-21-13-15-38-16-14-21)32(43)33-41-31(46-42-33)17-22-5-8-23(9-6-22)34(44)39-27-18-24-3-1-2-4-25(24)19-27/h1-6,8-11,20-21,27,30,38H,7,12-19H2,(H,39,44)(H,40,45)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Biochemistry 45: 5964-73 (2006) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM14313 (CRA24 | N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-inden-2-y...) Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CCNCC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r| Show InChI InChI=1S/C35H35F2N5O4/c36-28-11-10-26(20-29(28)37)35(45)40-30(12-7-21-13-15-38-16-14-21)32(43)33-41-31(46-42-33)17-22-5-8-23(9-6-22)34(44)39-27-18-24-3-1-2-4-25(24)19-27/h1-6,8-11,20-21,27,30,38H,7,12-19H2,(H,39,44)(H,40,45)/t30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Biochemistry 45: 5964-73 (2006) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450
					More data for this Ligand-Target Pair