Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 574.6 BDBM50215992

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50215992 (CHEMBL247545 | cis-tert-butyl 3-(4-((2-methylquino...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC[C@@H]2c2n[nH]c(=S)[nH]2)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C30H34N6O4S/c1-18-15-20(22-7-5-6-8-24(22)31-18)17-39-21-11-9-19(10-12-21)27(37)32-25-16-36(29(38)40-30(2,3)4)14-13-23(25)26-33-28(41)35-34-26/h5-12,15,23,25H,13-14,16-17H2,1-4H3,(H,32,37)(H2,33,34,35,41)/t23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4678-82 (2007) Article DOI: 10.1016/j.bmcl.2007.05.100 BindingDB Entry DOI: 10.7270/Q2H41R4X
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50215992 (CHEMBL247545 | cis-tert-butyl 3-(4-((2-methylquino...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC[C@@H]2c2n[nH]c(=S)[nH]2)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C30H34N6O4S/c1-18-15-20(22-7-5-6-8-24(22)31-18)17-39-21-11-9-19(10-12-21)27(37)32-25-16-36(29(38)40-30(2,3)4)14-13-23(25)26-33-28(41)35-34-26/h5-12,15,23,25H,13-14,16-17H2,1-4H3,(H,32,37)(H2,33,34,35,41)/t23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 17: 4678-82 (2007) Article DOI: 10.1016/j.bmcl.2007.05.100 BindingDB Entry DOI: 10.7270/Q2H41R4X
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50215992 (CHEMBL247545 | cis-tert-butyl 3-(4-((2-methylquino...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC[C@@H]2c2n[nH]c(=S)[nH]2)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C30H34N6O4S/c1-18-15-20(22-7-5-6-8-24(22)31-18)17-39-21-11-9-19(10-12-21)27(37)32-25-16-36(29(38)40-30(2,3)4)14-13-23(25)26-33-28(41)35-34-26/h5-12,15,23,25H,13-14,16-17H2,1-4H3,(H,32,37)(H2,33,34,35,41)/t23-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4678-82 (2007) Article DOI: 10.1016/j.bmcl.2007.05.100 BindingDB Entry DOI: 10.7270/Q2H41R4X
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50215992 (CHEMBL247545 | cis-tert-butyl 3-(4-((2-methylquino...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC[C@@H]2c2n[nH]c(=S)[nH]2)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C30H34N6O4S/c1-18-15-20(22-7-5-6-8-24(22)31-18)17-39-21-11-9-19(10-12-21)27(37)32-25-16-36(29(38)40-30(2,3)4)14-13-23(25)26-33-28(41)35-34-26/h5-12,15,23,25H,13-14,16-17H2,1-4H3,(H,32,37)(H2,33,34,35,41)/t23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP12				Bioorg Med Chem Lett 17: 4678-82 (2007) Article DOI: 10.1016/j.bmcl.2007.05.100 BindingDB Entry DOI: 10.7270/Q2H41R4X
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50215992 (CHEMBL247545 | cis-tert-butyl 3-(4-((2-methylquino...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC[C@@H]2c2n[nH]c(=S)[nH]2)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C30H34N6O4S/c1-18-15-20(22-7-5-6-8-24(22)31-18)17-39-21-11-9-19(10-12-21)27(37)32-25-16-36(29(38)40-30(2,3)4)14-13-23(25)26-33-28(41)35-34-26/h5-12,15,23,25H,13-14,16-17H2,1-4H3,(H,32,37)(H2,33,34,35,41)/t23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem Lett 17: 4678-82 (2007) Article DOI: 10.1016/j.bmcl.2007.05.100 BindingDB Entry DOI: 10.7270/Q2H41R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50215992 (CHEMBL247545 | cis-tert-butyl 3-(4-((2-methylquino...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC[C@@H]2c2n[nH]c(=S)[nH]2)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C30H34N6O4S/c1-18-15-20(22-7-5-6-8-24(22)31-18)17-39-21-11-9-19(10-12-21)27(37)32-25-16-36(29(38)40-30(2,3)4)14-13-23(25)26-33-28(41)35-34-26/h5-12,15,23,25H,13-14,16-17H2,1-4H3,(H,32,37)(H2,33,34,35,41)/t23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine TACE				Bioorg Med Chem Lett 17: 4678-82 (2007) Article DOI: 10.1016/j.bmcl.2007.05.100 BindingDB Entry DOI: 10.7270/Q2H41R4X
					More data for this Ligand-Target Pair