BDBM50216004 4-((2-methylquinolin-4-yl)methoxy)-N-(4-((5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-tetrahydro-2H-pyran-4-yl)benzamide::CHEMBL247140

SMILES: Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCOCC2)c2ccccc2n1

InChI Key: InChIKey=BYQIIKCYPGKHOY-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50216004   

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-12 (MMP12) (Homo sapiens (Human))	BDBM50216004 (4-((2-methylquinolin-4-yl)methoxy)-N-(4-((5-thioxo...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O3S/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-34-20-8-6-18(7-9-20)24(32)29-26(10-12-33-13-11-26)15-23-28-25(35)31-30-23/h2-9,14H,10-13,15-16H2,1H3,(H,29,32)(H2,28,30,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50216004 (4-((2-methylquinolin-4-yl)methoxy)-N-(4-((5-thioxo...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O3S/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-34-20-8-6-18(7-9-20)24(32)29-26(10-12-33-13-11-26)15-23-28-25(35)31-30-23/h2-9,14H,10-13,15-16H2,1H3,(H,29,32)(H2,28,30,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	635	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
Collagenase 3 (Homo sapiens (Human))	BDBM50216004 (4-((2-methylquinolin-4-yl)methoxy)-N-(4-((5-thioxo...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O3S/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-34-20-8-6-18(7-9-20)24(32)29-26(10-12-33-13-11-26)15-23-28-25(35)31-30-23/h2-9,14H,10-13,15-16H2,1H3,(H,29,32)(H2,28,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	753	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50216004 (4-((2-methylquinolin-4-yl)methoxy)-N-(4-((5-thioxo...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O3S/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-34-20-8-6-18(7-9-20)24(32)29-26(10-12-33-13-11-26)15-23-28-25(35)31-30-23/h2-9,14H,10-13,15-16H2,1H3,(H,29,32)(H2,28,30,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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))	BDBM50216004 (4-((2-methylquinolin-4-yl)methoxy)-N-(4-((5-thioxo...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O3S/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-34-20-8-6-18(7-9-20)24(32)29-26(10-12-33-13-11-26)15-23-28-25(35)31-30-23/h2-9,14H,10-13,15-16H2,1H3,(H,29,32)(H2,28,30,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.11E+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
ADAM17 (Sus scrofa (pig))	BDBM50216004 (4-((2-methylquinolin-4-yl)methoxy)-N-(4-((5-thioxo...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O3S/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-34-20-8-6-18(7-9-20)24(32)29-26(10-12-33-13-11-26)15-23-28-25(35)31-30-23/h2-9,14H,10-13,15-16H2,1H3,(H,29,32)(H2,28,30,31,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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