BDBM50101723 (1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-biphenyl-4-sulfonylamino)-acetic acid::CHEMBL58553

SMILES: COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O

InChI Key: InChIKey=WKYNDNVMBNENDU-JOCHJYFZSA-N

Data: 5 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 5 hits for monomerid = 50101723   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50101723 ((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101723 ((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50101723 ((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101723 ((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50101723 ((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair