BDBM14315 CRA26::methyl N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)phenyl]methyl}-1,2,4-oxadiazol-3-yl)-1-oxo-4-(pyrrolidin-3-yl)butan-2-yl]carbamate

SMILES: COC(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1

InChI Key: InChIKey=FMOHDCRLFIUBOX-WIIYFNMSSA-N

Data: 2 KI

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 14315   

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))	BDBM14315 (CRA26 | methyl N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-in...) Show SMILES COC(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r| Show InChI InChI=1S/C29H33N5O5/c1-38-29(37)32-24(11-8-19-12-13-30-17-19)26(35)27-33-25(39-34-27)14-18-6-9-20(10-7-18)28(36)31-23-15-21-4-2-3-5-22(21)16-23/h2-7,9-10,19,23-24,30H,8,11-17H2,1H3,(H,31,36)(H,32,37)/t19?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	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))	BDBM14315 (CRA26 | methyl N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-in...) Show SMILES COC(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r| Show InChI InChI=1S/C29H33N5O5/c1-38-29(37)32-24(11-8-19-12-13-30-17-19)26(35)27-33-25(39-34-27)14-18-6-9-20(10-7-18)28(36)31-23-15-21-4-2-3-5-22(21)16-23/h2-7,9-10,19,23-24,30H,8,11-17H2,1H3,(H,31,36)(H,32,37)/t19?,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	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