BDBM50456788 CHEMBL4212449

SMILES: [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F

InChI Key: InChIKey=KTGRBNDUSNDAMR-BEFHDJFHSA-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 = 50456788   

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 (2 and 3) (Homo sapiens (Human))	BDBM50456788 (CHEMBL4212449) 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)Nc1ccccc1F)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C50H54F2N4O5S/c1-32(2)36-30-35-24-25-45-49(3,26-15-27-50(45,4)48(59)55-42(28-33-16-7-5-8-17-33)46(57)53-40-22-13-11-20-38(40)51)37(35)31-44(36)62(60,61)56-43(29-34-18-9-6-10-19-34)47(58)54-41-23-14-12-21-39(41)52/h5-14,16-23,30-32,42-43,45,56H,15,24-29H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45-,49-,50-/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	3.53E+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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50456788 (CHEMBL4212449) 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)Nc1ccccc1F)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C50H54F2N4O5S/c1-32(2)36-30-35-24-25-45-49(3,26-15-27-50(45,4)48(59)55-42(28-33-16-7-5-8-17-33)46(57)53-40-22-13-11-20-38(40)51)37(35)31-44(36)62(60,61)56-43(29-34-18-9-6-10-19-34)47(58)54-41-23-14-12-21-39(41)52/h5-14,16-23,30-32,42-43,45,56H,15,24-29H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45-,49-,50-/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	6.66E+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))	BDBM50456788 (CHEMBL4212449) 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)Nc1ccccc1F)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C50H54F2N4O5S/c1-32(2)36-30-35-24-25-45-49(3,26-15-27-50(45,4)48(59)55-42(28-33-16-7-5-8-17-33)46(57)53-40-22-13-11-20-38(40)51)37(35)31-44(36)62(60,61)56-43(29-34-18-9-6-10-19-34)47(58)54-41-23-14-12-21-39(41)52/h5-14,16-23,30-32,42-43,45,56H,15,24-29H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45-,49-,50-/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	6.45E+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