BDBM50446215 CHEMBL3109169

SMILES: CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1

InChI Key: InChIKey=FRKTZXLEIOJHMB-CENDIDJXSA-N

Data: 1 KI  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 3 hits for monomerid = 50446215   

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
Kallikrein 5 (Homo sapiens (Human))	BDBM50446215 (CHEMBL3109169) Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C23H34N2O6S/c1-23(2,3)31-22(27)25-16(10-11-32-4)21(26)24-17-13-29-20-18(14-30-19(17)20)28-12-15-8-6-5-7-9-15/h5-9,16-20H,10-14H2,1-4H3,(H,24,26)(H,25,27)/t16-,17-,18+,19+,20+/m0/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...				ACS Med Chem Lett 5: 128-32 (2014) Article DOI: 10.1021/ml4003698 BindingDB Entry DOI: 10.7270/Q2W37XSV
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM50446215 (CHEMBL3109169) Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C23H34N2O6S/c1-23(2,3)31-22(27)25-16(10-11-32-4)21(26)24-17-13-29-20-18(14-30-19(17)20)28-12-15-8-6-5-7-9-15/h5-9,16-20H,10-14H2,1-4H3,(H,24,26)(H,25,27)/t16-,17-,18+,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated for 5 mins p...				ACS Med Chem Lett 5: 128-32 (2014) Article DOI: 10.1021/ml4003698 BindingDB Entry DOI: 10.7270/Q2W37XSV
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM50446215 (CHEMBL3109169) Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C23H34N2O6S/c1-23(2,3)31-22(27)25-16(10-11-32-4)21(26)24-17-13-29-20-18(14-30-19(17)20)28-12-15-8-6-5-7-9-15/h5-9,16-20H,10-14H2,1-4H3,(H,24,26)(H,25,27)/t16-,17-,18+,19+,20+/m0/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins p...				ACS Med Chem Lett 5: 128-32 (2014) Article DOI: 10.1021/ml4003698 BindingDB Entry DOI: 10.7270/Q2W37XSV
					More data for this Ligand-Target Pair