BDBM50512105 CHEMBL4587327

SMILES: CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(cc2s1)C(=O)NC1CCNCC1

InChI Key: InChIKey=MMCZPBUBUPXIQM-VNNZRSTGSA-N

Data: 5 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 5 hits for monomerid = 50512105   

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
Hepsin (Homo sapiens (Human))	BDBM50512105 (CHEMBL4587327) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(cc2s1)C(=O)NC1CCNCC1 |r| Show InChI InChI=1S/C36H57N11O6S/c1-5-24(42-21(4)48)32(51)45-27(8-6-14-37)33(52)46-28(18-20(2)3)34(53)44-26(9-7-15-41-36(38)39)30(49)35-47-25-11-10-22(19-29(25)54-35)31(50)43-23-12-16-40-17-13-23/h10-11,19-20,23-24,26-28,40H,5-9,12-18,37H2,1-4H3,(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H4,38,39,41)/t24-,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant human hepsin preincubated for 30 mins followed by Boc-QLR-AMC substrate addition by fluorescence assay				Eur J Med Chem 170: 237-260 (2019) Article DOI: 10.1016/j.ejmech.2019.03.024
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50512105 (CHEMBL4587327) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(cc2s1)C(=O)NC1CCNCC1 |r| Show InChI InChI=1S/C36H57N11O6S/c1-5-24(42-21(4)48)32(51)45-27(8-6-14-37)33(52)46-28(18-20(2)3)34(53)44-26(9-7-15-41-36(38)39)30(49)35-47-25-11-10-22(19-29(25)54-35)31(50)43-23-12-16-40-17-13-23/h10-11,19-20,23-24,26-28,40H,5-9,12-18,37H2,1-4H3,(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H4,38,39,41)/t24-,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant human matriptase preincubated for 30 mins followed by Boc-QLR-AMC substrate addition by fluorescence assay				Eur J Med Chem 170: 237-260 (2019) Article DOI: 10.1016/j.ejmech.2019.03.024
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50512105 (CHEMBL4587327) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(cc2s1)C(=O)NC1CCNCC1 |r| Show InChI InChI=1S/C36H57N11O6S/c1-5-24(42-21(4)48)32(51)45-27(8-6-14-37)33(52)46-28(18-20(2)3)34(53)44-26(9-7-15-41-36(38)39)30(49)35-47-25-11-10-22(19-29(25)54-35)31(50)43-23-12-16-40-17-13-23/h10-11,19-20,23-24,26-28,40H,5-9,12-18,37H2,1-4H3,(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H4,38,39,41)/t24-,26-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant HGFA serine protease domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition by fluores...				Eur J Med Chem 170: 237-260 (2019) Article DOI: 10.1016/j.ejmech.2019.03.024
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50512105 (CHEMBL4587327) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(cc2s1)C(=O)NC1CCNCC1 |r| Show InChI InChI=1S/C36H57N11O6S/c1-5-24(42-21(4)48)32(51)45-27(8-6-14-37)33(52)46-28(18-20(2)3)34(53)44-26(9-7-15-41-36(38)39)30(49)35-47-25-11-10-22(19-29(25)54-35)31(50)43-23-12-16-40-17-13-23/h10-11,19-20,23-24,26-28,40H,5-9,12-18,37H2,1-4H3,(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H4,38,39,41)/t24-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant factor 10a (unknown origin) preincubated for 30 mins followed by chromogenic substrate addition by fluorescence assay				Eur J Med Chem 170: 237-260 (2019) Article DOI: 10.1016/j.ejmech.2019.03.024
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50512105 (CHEMBL4587327) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(cc2s1)C(=O)NC1CCNCC1 |r| Show InChI InChI=1S/C36H57N11O6S/c1-5-24(42-21(4)48)32(51)45-27(8-6-14-37)33(52)46-28(18-20(2)3)34(53)44-26(9-7-15-41-36(38)39)30(49)35-47-25-11-10-22(19-29(25)54-35)31(50)43-23-12-16-40-17-13-23/h10-11,19-20,23-24,26-28,40H,5-9,12-18,37H2,1-4H3,(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H4,38,39,41)/t24-,26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant thrombin (unknown origin) preincubated for 30 mins followed by chromogenic substrate addition by fluorescence assay				Eur J Med Chem 170: 237-260 (2019) Article DOI: 10.1016/j.ejmech.2019.03.024
					More data for this Ligand-Target Pair