BDBM50043593 1N-phenyl-8-amino-2-[1-[1-amino-(1R)-ethylcarboxamido]-3-phenyl-(1S)-propylcarboxamido]octanamide::CHEMBL2370819

SMILES: C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCCN)C(=O)Nc1ccccc1

InChI Key: InChIKey=JJVBVWAKWZHHLG-QDSKXPNFSA-N

Data: 2 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 2 hits for monomerid = 50043593   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50043593 (1N-phenyl-8-amino-2-[1-[1-amino-(1R)-ethylcarboxam...) Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCCN)C(=O)Nc1ccccc1 Show InChI InChI=1S/C27H39N5O3/c1-20(29)25(33)31-24(18-17-21-12-6-4-7-13-21)27(35)32-23(16-10-2-3-11-19-28)26(34)30-22-14-8-5-9-15-22/h4-9,12-15,20,23-24H,2-3,10-11,16-19,28-29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t20-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human fibroblast collagenase				J Med Chem 36: 4293-301 (1994) BindingDB Entry DOI: 10.7270/Q2Z31XQ9
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50043593 (1N-phenyl-8-amino-2-[1-[1-amino-(1R)-ethylcarboxam...) Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCCN)C(=O)Nc1ccccc1 Show InChI InChI=1S/C27H39N5O3/c1-20(29)25(33)31-24(18-17-21-12-6-4-7-13-21)27(35)32-23(16-10-2-3-11-19-28)26(34)30-22-14-8-5-9-15-22/h4-9,12-15,20,23-24H,2-3,10-11,16-19,28-29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t20-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human fibroblast stromelysin				J Med Chem 36: 4293-301 (1994) BindingDB Entry DOI: 10.7270/Q2Z31XQ9
					More data for this Ligand-Target Pair