BDBM50089094 CHEMBL414810::Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser

SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(O)=O

InChI Key: InChIKey=IARAAMMRAOTQKW-XOMXTNSMSA-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 = 50089094   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50089094 (CHEMBL414810 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C47H75N9O13S2/c1-8-27(4)38(46(67)56-20-12-15-36(56)45(66)51-32(19-22-71-7)42(63)54-35(25-57)47(68)69)55-39(60)28(5)49-41(62)31(16-17-37(58)59)50-43(64)33(23-26(2)3)53-44(65)34(24-29-13-10-9-11-14-29)52-40(61)30(48)18-21-70-6/h9-11,13-14,26-28,30-36,38,57H,8,12,15-25,48H2,1-7H3,(H,49,62)(H,50,64)(H,51,66)(H,52,61)(H,53,65)(H,54,63)(H,55,60)(H,58,59)(H,68,69)/t27-,28-,30-,31-,32+,33-,34-,35+,36+,38-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Oxford Centre for Molecular Sciences Curated by ChEMBL					Assay Description Competitive inhibition constant of the compound was tested against Human neutrophil elastase using the reporter substrate MeO-AAPV-pNa				Bioorg Med Chem Lett 10: 1219-21 (2000) BindingDB Entry DOI: 10.7270/Q2FQ9VTD
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50089094 (CHEMBL414810 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C47H75N9O13S2/c1-8-27(4)38(46(67)56-20-12-15-36(56)45(66)51-32(19-22-71-7)42(63)54-35(25-57)47(68)69)55-39(60)28(5)49-41(62)31(16-17-37(58)59)50-43(64)33(23-26(2)3)53-44(65)34(24-29-13-10-9-11-14-29)52-40(61)30(48)18-21-70-6/h9-11,13-14,26-28,30-36,38,57H,8,12,15-25,48H2,1-7H3,(H,49,62)(H,50,64)(H,51,66)(H,52,61)(H,53,65)(H,54,63)(H,55,60)(H,58,59)(H,68,69)/t27-,28-,30-,31-,32+,33-,34-,35+,36+,38-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Oxford Centre for Molecular Sciences Curated by ChEMBL					Assay Description Competitive inhibition constant of the compound was tested against Chymotrypsinogen using the reporter substrate Suc-AAPA-pNa				Bioorg Med Chem Lett 10: 1219-21 (2000) BindingDB Entry DOI: 10.7270/Q2FQ9VTD
					More data for this Ligand-Target Pair
Pancreatic elastase (Sus scrofa)	BDBM50089094 (CHEMBL414810 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C47H75N9O13S2/c1-8-27(4)38(46(67)56-20-12-15-36(56)45(66)51-32(19-22-71-7)42(63)54-35(25-57)47(68)69)55-39(60)28(5)49-41(62)31(16-17-37(58)59)50-43(64)33(23-26(2)3)53-44(65)34(24-29-13-10-9-11-14-29)52-40(61)30(48)18-21-70-6/h9-11,13-14,26-28,30-36,38,57H,8,12,15-25,48H2,1-7H3,(H,49,62)(H,50,64)(H,51,66)(H,52,61)(H,53,65)(H,54,63)(H,55,60)(H,58,59)(H,68,69)/t27-,28-,30-,31-,32+,33-,34-,35+,36+,38-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Oxford Centre for Molecular Sciences Curated by ChEMBL					Assay Description Peptide was tested for inhibition constant for competitive inhibition using Suc-AAPA-pNa and Pancreatic elastase				Bioorg Med Chem Lett 10: 1219-21 (2000) BindingDB Entry DOI: 10.7270/Q2FQ9VTD
					More data for this Ligand-Target Pair