BDBM50205621 CHEMBL3891631

SMILES: [H][C@]12OC[C@H](N(C(=O)c3ccccc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1

InChI Key: InChIKey=BWSWAUHPWHRBDT-FICKONGGSA-N

Data: 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 2 hits for monomerid = 50205621   

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 1 (Homo sapiens (Human))	BDBM50205621 (CHEMBL3891631) Show SMILES [H][C@]12OC[C@H](N(C(=O)c3ccccc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r| Show InChI InChI=1S/C30H38N2O5/c1-30(2,29(34)31-23-16-10-5-11-17-23)32(28(33)22-14-8-4-9-15-22)24-19-36-27-25(20-37-26(24)27)35-18-21-12-6-3-7-13-21/h3-4,6-9,12-15,23-27H,5,10-11,16-20H2,1-2H3,(H,31,34)/t24-,25+,26+,27+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of recombinant human KLK1 expressed in baculovirus/insect cell expression system using Abz-KLRSSKQ-EDDnp peptide as substrate preincubated...				Bioorg Med Chem Lett 27: 314-318 (2017) Article DOI: 10.1016/j.bmcl.2016.11.051 BindingDB Entry DOI: 10.7270/Q2WW7KNV
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM50205621 (CHEMBL3891631) Show SMILES [H][C@]12OC[C@H](N(C(=O)c3ccccc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r| Show InChI InChI=1S/C30H38N2O5/c1-30(2,29(34)31-23-16-10-5-11-17-23)32(28(33)22-14-8-4-9-15-22)24-19-36-27-25(20-37-26(24)27)35-18-21-12-6-3-7-13-21/h3-4,6-9,12-15,23-27H,5,10-11,16-20H2,1-2H3,(H,31,34)/t24-,25+,26+,27+/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	5.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of recombinant human KLK7 expressed in baculovirus/insect cell expression system using Abz-KLYSSKQ-EDDnp peptide as substrate preincubated...				Bioorg Med Chem Lett 27: 314-318 (2017) Article DOI: 10.1016/j.bmcl.2016.11.051 BindingDB Entry DOI: 10.7270/Q2WW7KNV
					More data for this Ligand-Target Pair