BDBM50391075 CHEMBL2087343

SMILES: O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1

InChI Key: InChIKey=KTZBSMNIDRHAES-OYOASDFGSA-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 = 50391075   

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))	BDBM50391075 (CHEMBL2087343) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r| Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM50391075 (CHEMBL2087343) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r| Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM50391075 (CHEMBL2087343) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r| Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM50391075 (CHEMBL2087343) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r| Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/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	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human recombinant KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis				Bioorg Med Chem Lett 22: 6072-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.047 BindingDB Entry DOI: 10.7270/Q2SF2X8R
					More data for this Ligand-Target Pair