BDBM50371346 CHEMBL256598

SMILES: CC(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO

InChI Key: InChIKey=BEMAWHUATSKVDF-LADGPHEKSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50371346   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50371346 (CHEMBL256598) Show SMILES CC(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H30N4O6/c1-16(2)37-27(34)31-13-22(26(33)30-35)24(14-31)29-25(32)18-8-10-20(11-9-18)36-15-19-12-17(3)28-23-7-5-4-6-21(19)23/h4-12,16,22,24,35H,13-15H2,1-3H3,(H,29,32)(H,30,33)/t22-,24+/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 PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to MMP2				Bioorg Med Chem Lett 18: 694-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.059 BindingDB Entry DOI: 10.7270/Q2BV7HGG
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50371346 (CHEMBL256598) Show SMILES CC(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H30N4O6/c1-16(2)37-27(34)31-13-22(26(33)30-35)24(14-31)29-25(32)18-8-10-20(11-9-18)36-15-19-12-17(3)28-23-7-5-4-6-21(19)23/h4-12,16,22,24,35H,13-15H2,1-3H3,(H,29,32)(H,30,33)/t22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to MMP9				Bioorg Med Chem Lett 18: 694-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.059 BindingDB Entry DOI: 10.7270/Q2BV7HGG
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50371346 (CHEMBL256598) Show SMILES CC(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H30N4O6/c1-16(2)37-27(34)31-13-22(26(33)30-35)24(14-31)29-25(32)18-8-10-20(11-9-18)36-15-19-12-17(3)28-23-7-5-4-6-21(19)23/h4-12,16,22,24,35H,13-15H2,1-3H3,(H,29,32)(H,30,33)/t22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to MMP1				Bioorg Med Chem Lett 18: 694-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.059 BindingDB Entry DOI: 10.7270/Q2BV7HGG
					More data for this Ligand-Target Pair
ADAM17 (Sus scrofa (pig))	BDBM50371346 (CHEMBL256598) Show SMILES CC(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H30N4O6/c1-16(2)37-27(34)31-13-22(26(33)30-35)24(14-31)29-25(32)18-8-10-20(11-9-18)36-15-19-12-17(3)28-23-7-5-4-6-21(19)23/h4-12,16,22,24,35H,13-15H2,1-3H3,(H,29,32)(H,30,33)/t22-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem Lett 18: 694-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.059 BindingDB Entry DOI: 10.7270/Q2BV7HGG
					More data for this Ligand-Target Pair