BDBM50069122 CHEMBL3402440

SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1

InChI Key: InChIKey=TULVKTALXJSDBV-YTTGMZPUSA-N

Data: 3 KI

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 = 50069122   

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
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50069122 (CHEMBL3402440) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H47N5O3S/c1-23(2)28-21-30(24(3)4)33(31(22-28)25(5)6)44(42,43)38-32(20-26-11-10-12-27(19-26)34(36)37)35(41)40-17-15-39(16-18-40)29-13-8-7-9-14-29/h7-14,19,21-25,32,38H,15-18,20H2,1-6H3,(H3,36,37)/t32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair
Hepsin (Homo sapiens (Human))	BDBM50069122 (CHEMBL3402440) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H47N5O3S/c1-23(2)28-21-30(24(3)4)33(31(22-28)25(5)6)44(42,43)38-32(20-26-11-10-12-27(19-26)34(36)37)35(41)40-17-15-39(16-18-40)29-13-8-7-9-14-29/h7-14,19,21-25,32,38H,15-18,20H2,1-6H3,(H3,36,37)/t32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50069122 (CHEMBL3402440) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H47N5O3S/c1-23(2)28-21-30(24(3)4)33(31(22-28)25(5)6)44(42,43)38-32(20-26-11-10-12-27(19-26)34(36)37)35(41)40-17-15-39(16-18-40)29-13-8-7-9-14-29/h7-14,19,21-25,32,38H,15-18,20H2,1-6H3,(H3,36,37)/t32-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair