BDBM50288708 (R)-2-[(S)-1-((S)-3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-phenyl-propylamino]-6-(1-oxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid::CHEMBL112147

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCN1Cc2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1

InChI Key: InChIKey=XCJPWKHINIJNBZ-QAXCHELISA-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 = 50288708   

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))	BDBM50288708 ((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](CCCCN1Cc2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C36H44N4O5/c1-25(2)23-32(34(42)37-28-16-7-4-8-17-28)39-33(41)30(21-20-26-13-5-3-6-14-26)38-31(36(44)45)19-11-12-22-40-24-27-15-9-10-18-29(27)35(40)43/h3-10,13-18,25,30-32,38H,11-12,19-24H2,1-2H3,(H,37,42)(H,39,41)(H,44,45)/t30-,31+,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	12	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))	BDBM50288708 ((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](CCCCN1Cc2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C36H44N4O5/c1-25(2)23-32(34(42)37-28-16-7-4-8-17-28)39-33(41)30(21-20-26-13-5-3-6-14-26)38-31(36(44)45)19-11-12-22-40-24-27-15-9-10-18-29(27)35(40)43/h3-10,13-18,25,30-32,38H,11-12,19-24H2,1-2H3,(H,37,42)(H,39,41)(H,44,45)/t30-,31+,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	110	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))	BDBM50288708 ((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](CCCCN1Cc2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C36H44N4O5/c1-25(2)23-32(34(42)37-28-16-7-4-8-17-28)39-33(41)30(21-20-26-13-5-3-6-14-26)38-31(36(44)45)19-11-12-22-40-24-27-15-9-10-18-29(27)35(40)43/h3-10,13-18,25,30-32,38H,11-12,19-24H2,1-2H3,(H,37,42)(H,39,41)(H,44,45)/t30-,31+,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.60E+3	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