BDBM50456784 CHEMBL4206821

SMILES: [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)S(O)(=O)=O

InChI Key: InChIKey=HCNWQGQYWVUTRG-PEWUYPRLSA-N

Data: 3 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 3 hits for monomerid = 50456784   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50456784 (CHEMBL4206821) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)S(O)(=O)=O |r| Show InChI InChI=1S/C35H42N2O5S/c1-23(2)27-21-25-16-17-31-34(3,28(25)22-30(27)43(40,41)42)18-11-19-35(31,4)33(39)37-29(20-24-12-7-5-8-13-24)32(38)36-26-14-9-6-10-15-26/h5-10,12-15,21-23,29,31H,11,16-20H2,1-4H3,(H,36,38)(H,37,39)(H,40,41,42)/t29-,31-,34-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 (Ala20 to Asp707 residues) expressed in CHO cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate preincub...				Eur J Med Chem 138: 979-992 (2017) Article DOI: 10.1016/j.ejmech.2017.07.020 BindingDB Entry DOI: 10.7270/Q2R49TBN
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50456784 (CHEMBL4206821) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)S(O)(=O)=O |r| Show InChI InChI=1S/C35H42N2O5S/c1-23(2)27-21-25-16-17-31-34(3,28(25)22-30(27)43(40,41)42)18-11-19-35(31,4)33(39)37-29(20-24-12-7-5-8-13-24)32(38)36-26-14-9-6-10-15-26/h5-10,12-15,21-23,29,31H,11,16-20H2,1-4H3,(H,36,38)(H,37,39)(H,40,41,42)/t29-,31-,34-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...				Eur J Med Chem 138: 979-992 (2017) Article DOI: 10.1016/j.ejmech.2017.07.020 BindingDB Entry DOI: 10.7270/Q2R49TBN
					More data for this Ligand-Target Pair
Matrix metalloproteinase (2 and 3) (Homo sapiens (Human))	BDBM50456784 (CHEMBL4206821) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)S(O)(=O)=O |r| Show InChI InChI=1S/C35H42N2O5S/c1-23(2)27-21-25-16-17-31-34(3,28(25)22-30(27)43(40,41)42)18-11-19-35(31,4)33(39)37-29(20-24-12-7-5-8-13-24)32(38)36-26-14-9-6-10-15-26/h5-10,12-15,21-23,29,31H,11,16-20H2,1-4H3,(H,36,38)(H,37,39)(H,40,41,42)/t29-,31-,34-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 (Tyr18 to Cys477 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...				Eur J Med Chem 138: 979-992 (2017) Article DOI: 10.1016/j.ejmech.2017.07.020 BindingDB Entry DOI: 10.7270/Q2R49TBN
					More data for this Ligand-Target Pair