BDBM50456771 CHEMBL4203717

SMILES: [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1

InChI Key: InChIKey=LROBQFYRIFCJDT-FPXNKKITSA-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 = 50456771   

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))	BDBM50456771 (CHEMBL4203717) 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)Nc1ccc(OC)cc1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C52H60N4O7S/c1-34(2)42-32-37-18-27-47-51(3,28-13-29-52(47,4)50(59)55-44(30-35-14-9-7-10-15-35)48(57)53-38-19-23-40(62-5)24-20-38)43(37)33-46(42)64(60,61)56-45(31-36-16-11-8-12-17-36)49(58)54-39-21-25-41(63-6)26-22-39/h7-12,14-17,19-26,32-34,44-45,47,56H,13,18,27-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/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	2.49E+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))	BDBM50456771 (CHEMBL4203717) 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)Nc1ccc(OC)cc1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C52H60N4O7S/c1-34(2)42-32-37-18-27-47-51(3,28-13-29-52(47,4)50(59)55-44(30-35-14-9-7-10-15-35)48(57)53-38-19-23-40(62-5)24-20-38)43(37)33-46(42)64(60,61)56-45(31-36-16-11-8-12-17-36)49(58)54-39-21-25-41(63-6)26-22-39/h7-12,14-17,19-26,32-34,44-45,47,56H,13,18,27-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/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	5.78E+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))	BDBM50456771 (CHEMBL4203717) 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)Nc1ccc(OC)cc1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C52H60N4O7S/c1-34(2)42-32-37-18-27-47-51(3,28-13-29-52(47,4)50(59)55-44(30-35-14-9-7-10-15-35)48(57)53-38-19-23-40(62-5)24-20-38)43(37)33-46(42)64(60,61)56-45(31-36-16-11-8-12-17-36)49(58)54-39-21-25-41(63-6)26-22-39/h7-12,14-17,19-26,32-34,44-45,47,56H,13,18,27-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/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	5.61E+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