BDBM50446230 CHEMBL3109059

SMILES: Cc1ccc(cc1)S(=O)(=O)n1cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)OCc2ccccc2)c1

InChI Key: InChIKey=XZLXRLLLEURUDV-UZSVIBPSSA-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 = 50446230   

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))	BDBM50446230 (CHEMBL3109059) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)OCc2ccccc2)c1 |r| Show InChI InChI=1S/C31H38N4O8S/c1-20-10-12-23(13-11-20)44(38,39)35-15-22(32-19-35)14-24(34-30(37)43-31(2,3)4)29(36)33-25-17-41-28-26(18-42-27(25)28)40-16-21-8-6-5-7-9-21/h5-13,15,19,24-28H,14,16-18H2,1-4H3,(H,33,36)(H,34,37)/t24-,25-,26+,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.40E+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))	BDBM50446230 (CHEMBL3109059) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)OCc2ccccc2)c1 |r| Show InChI InChI=1S/C31H38N4O8S/c1-20-10-12-23(13-11-20)44(38,39)35-15-22(32-19-35)14-24(34-30(37)43-31(2,3)4)29(36)33-25-17-41-28-26(18-42-27(25)28)40-16-21-8-6-5-7-9-21/h5-13,15,19,24-28H,14,16-18H2,1-4H3,(H,33,36)(H,34,37)/t24-,25-,26+,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+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))	BDBM50446230 (CHEMBL3109059) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)OCc2ccccc2)c1 |r| Show InChI InChI=1S/C31H38N4O8S/c1-20-10-12-23(13-11-20)44(38,39)35-15-22(32-19-35)14-24(34-30(37)43-31(2,3)4)29(36)33-25-17-41-28-26(18-42-27(25)28)40-16-21-8-6-5-7-9-21/h5-13,15,19,24-28H,14,16-18H2,1-4H3,(H,33,36)(H,34,37)/t24-,25-,26+,27+,28+/m0/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+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 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