BDBM50446212 CHEMBL3109057

SMILES: O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1

InChI Key: InChIKey=FZFBVNWNSLGODI-ODTAKUCXSA-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 = 50446212   

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))	BDBM50446212 (CHEMBL3109057) Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H30N2O6/c29-25(21-12-7-13-28(21)26(30)34-15-19-10-5-2-6-11-19)27-20-16-32-24-22(17-33-23(20)24)31-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2,(H,27,29)/t20-,21+,22+,23+,24+/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	1.51E+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 7 (Homo sapiens (Human))	BDBM50446212 (CHEMBL3109057) Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H30N2O6/c29-25(21-12-7-13-28(21)26(30)34-15-19-10-5-2-6-11-19)27-20-16-32-24-22(17-33-23(20)24)31-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2,(H,27,29)/t20-,21+,22+,23+,24+/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	2.36E+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
Kallikrein 5 (Homo sapiens (Human))	BDBM50446212 (CHEMBL3109057) Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H30N2O6/c29-25(21-12-7-13-28(21)26(30)34-15-19-10-5-2-6-11-19)27-20-16-32-24-22(17-33-23(20)24)31-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2,(H,27,29)/t20-,21+,22+,23+,24+/m0/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.21E+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