BDBM50391076 CHEMBL2087344

SMILES: O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1

InChI Key: InChIKey=MNCOOLKRGJFUMT-LRPZBYNHSA-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 = 50391076   

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))	BDBM50391076 (CHEMBL2087344) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C30H28N2O7/c33-29(21-9-5-2-6-10-21)31-22(13-20-11-12-24-25(14-20)39-18-38-24)30(34)32-23-16-36-28-26(17-37-27(23)28)35-15-19-7-3-1-4-8-19/h1-14,23,26-28H,15-18H2,(H,31,33)(H,32,34)/b22-13-/t23-,26-,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.03E+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 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))	BDBM50391076 (CHEMBL2087344) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C30H28N2O7/c33-29(21-9-5-2-6-10-21)31-22(13-20-11-12-24-25(14-20)39-18-38-24)30(34)32-23-16-36-28-26(17-37-27(23)28)35-15-19-7-3-1-4-8-19/h1-14,23,26-28H,15-18H2,(H,31,33)(H,32,34)/b22-13-/t23-,26-,27-,28-/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.57E+5	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 7 (Homo sapiens (Human))	BDBM50391076 (CHEMBL2087344) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C30H28N2O7/c33-29(21-9-5-2-6-10-21)31-22(13-20-11-12-24-25(14-20)39-18-38-24)30(34)32-23-16-36-28-26(17-37-27(23)28)35-15-19-7-3-1-4-8-19/h1-14,23,26-28H,15-18H2,(H,31,33)(H,32,34)/b22-13-/t23-,26-,27-,28-/m1/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	2.05E+5	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
Kallikrein 5 (Homo sapiens (Human))	BDBM50391076 (CHEMBL2087344) Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C30H28N2O7/c33-29(21-9-5-2-6-10-21)31-22(13-20-11-12-24-25(14-20)39-18-38-24)30(34)32-23-16-36-28-26(17-37-27(23)28)35-15-19-7-3-1-4-8-19/h1-14,23,26-28H,15-18H2,(H,31,33)(H,32,34)/b22-13-/t23-,26-,27-,28-/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	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