BDBM50288705 (R)-2-[(S)-1-((S)-3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-phenyl-propylamino]-5-phenylacetylamino-pentanoic acid::CHEMBL113322

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCNC(=O)Cc1ccccc1)C(O)=O)C(=O)Nc1ccccc1

InChI Key: InChIKey=DGFULAROBOKMBD-YPKYBTACSA-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 = 50288705   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50288705 ((R)-2-[(S)-1-((S)-3-Methyl-1-phenylcarbamoyl-butyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCNC(=O)Cc1ccccc1)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H44N4O5/c1-25(2)23-31(34(42)37-28-17-10-5-11-18-28)39-33(41)29(21-20-26-13-6-3-7-14-26)38-30(35(43)44)19-12-22-36-32(40)24-27-15-8-4-9-16-27/h3-11,13-18,25,29-31,38H,12,19-24H2,1-2H3,(H,36,40)(H,37,42)(H,39,41)(H,43,44)/t29-,30+,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MMP-3.				Bioorg Med Chem Lett 6: 329-332 (1996) Article DOI: 10.1016/0960-894X(96)00024-8 BindingDB Entry DOI: 10.7270/Q2S75GBB
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50288705 ((R)-2-[(S)-1-((S)-3-Methyl-1-phenylcarbamoyl-butyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCNC(=O)Cc1ccccc1)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H44N4O5/c1-25(2)23-31(34(42)37-28-17-10-5-11-18-28)39-33(41)29(21-20-26-13-6-3-7-14-26)38-30(35(43)44)19-12-22-36-32(40)24-27-15-8-4-9-16-27/h3-11,13-18,25,29-31,38H,12,19-24H2,1-2H3,(H,36,40)(H,37,42)(H,39,41)(H,43,44)/t29-,30+,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MMP-2.				Bioorg Med Chem Lett 6: 329-332 (1996) Article DOI: 10.1016/0960-894X(96)00024-8 BindingDB Entry DOI: 10.7270/Q2S75GBB
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50288705 ((R)-2-[(S)-1-((S)-3-Methyl-1-phenylcarbamoyl-butyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCNC(=O)Cc1ccccc1)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H44N4O5/c1-25(2)23-31(34(42)37-28-17-10-5-11-18-28)39-33(41)29(21-20-26-13-6-3-7-14-26)38-30(35(43)44)19-12-22-36-32(40)24-27-15-8-4-9-16-27/h3-11,13-18,25,29-31,38H,12,19-24H2,1-2H3,(H,36,40)(H,37,42)(H,39,41)(H,43,44)/t29-,30+,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase -1.				Bioorg Med Chem Lett 6: 329-332 (1996) Article DOI: 10.1016/0960-894X(96)00024-8 BindingDB Entry DOI: 10.7270/Q2S75GBB
					More data for this Ligand-Target Pair