BDBM50446221 CHEMBL3109163

SMILES: O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

InChI Key: InChIKey=VBOBVMMYZHORIY-VQKSECAYSA-N

Data: 2 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 4 hits for monomerid = 50446221   

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))	BDBM50446221 (CHEMBL3109163) Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H38N2O8/c38-33(28-17-10-18-37(28)35(40)44-21-26-15-8-3-9-16-26)36-27(19-24-11-4-1-5-12-24)34(39)45-30-23-43-31-29(22-42-32(30)31)41-20-25-13-6-2-7-14-25/h1-9,11-16,27-32H,10,17-23H2,(H,36,38)/t27-,28-,29+,30+,31+,32+/m0/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	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))	BDBM50446221 (CHEMBL3109163) Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H38N2O8/c38-33(28-17-10-18-37(28)35(40)44-21-26-15-8-3-9-16-26)36-27(19-24-11-4-1-5-12-24)34(39)45-30-23-43-31-29(22-42-32(30)31)41-20-25-13-6-2-7-14-25/h1-9,11-16,27-32H,10,17-23H2,(H,36,38)/t27-,28-,29+,30+,31+,32+/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	2.80E+3	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))	BDBM50446221 (CHEMBL3109163) Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H38N2O8/c38-33(28-17-10-18-37(28)35(40)44-21-26-15-8-3-9-16-26)36-27(19-24-11-4-1-5-12-24)34(39)45-30-23-43-31-29(22-42-32(30)31)41-20-25-13-6-2-7-14-25/h1-9,11-16,27-32H,10,17-23H2,(H,36,38)/t27-,28-,29+,30+,31+,32+/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	1.96E+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))	BDBM50446221 (CHEMBL3109163) Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H38N2O8/c38-33(28-17-10-18-37(28)35(40)44-21-26-15-8-3-9-16-26)36-27(19-24-11-4-1-5-12-24)34(39)45-30-23-43-31-29(22-42-32(30)31)41-20-25-13-6-2-7-14-25/h1-9,11-16,27-32H,10,17-23H2,(H,36,38)/t27-,28-,29+,30+,31+,32+/m0/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	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