BDBM50446226 CHEMBL3109158

SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1

InChI Key: InChIKey=VJDIJYRYGNHOBH-OMQSBVIBSA-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 = 50446226   

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 7 (Homo sapiens (Human))	BDBM50446226 (CHEMBL3109158) Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C23H31NO7/c1-23(2,3)31-22(26)24-11-7-10-16(24)21(25)30-18-14-29-19-17(13-28-20(18)19)27-12-15-8-5-4-6-9-15/h4-6,8-9,16-20H,7,10-14H2,1-3H3/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	1.56E+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 KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-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 5 (Homo sapiens (Human))	BDBM50446226 (CHEMBL3109158) Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C23H31NO7/c1-23(2,3)31-22(26)24-11-7-10-16(24)21(25)30-18-14-29-19-17(13-28-20(18)19)27-12-15-8-5-4-6-9-15/h4-6,8-9,16-20H,7,10-14H2,1-3H3/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	5.21E+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 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
Kallikrein 7 (Homo sapiens (Human))	BDBM50446226 (CHEMBL3109158) Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C23H31NO7/c1-23(2,3)31-22(26)24-11-7-10-16(24)21(25)30-18-14-29-19-17(13-28-20(18)19)27-12-15-8-5-4-6-9-15/h4-6,8-9,16-20H,7,10-14H2,1-3H3/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	2.44E+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 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