BDBM50165671 CHEMBL196647::N-{(R)-3-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-3-hydroxycarbamoyl-propyl}-N'-[3-[(biphenyl-4-sulfonyl)-isopropoxy-amino]-3-((R)-hydroxycarbamoyl)-propyl]-isophthalamide

SMILES: CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=YZYVVJVNDAWVKA-NCRNUEESSA-N

Data: 4 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 4 hits for monomerid = 50165671   

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-9 (Homo sapiens (Human))	BDBM50165671 (CHEMBL196647 | N-{(R)-3-[(Biphenyl-4-sulfonyl)-iso...) Show SMILES CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C46H52N6O12S2/c1-31(2)63-51(65(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)41(45(55)49-57)26-28-47-43(53)37-16-11-17-38(30-37)44(54)48-29-27-42(46(56)50-58)52(64-32(3)4)66(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	983	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-9 in MMPi assay				Bioorg Med Chem Lett 15: 2311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.03.002 BindingDB Entry DOI: 10.7270/Q26W99MN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50165671 (CHEMBL196647 | N-{(R)-3-[(Biphenyl-4-sulfonyl)-iso...) Show SMILES CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C46H52N6O12S2/c1-31(2)63-51(65(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)41(45(55)49-57)26-28-47-43(53)37-16-11-17-38(30-37)44(54)48-29-27-42(46(56)50-58)52(64-32(3)4)66(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1 in MMPi assay				Bioorg Med Chem Lett 15: 2311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.03.002 BindingDB Entry DOI: 10.7270/Q26W99MN
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50165671 (CHEMBL196647 | N-{(R)-3-[(Biphenyl-4-sulfonyl)-iso...) Show SMILES CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C46H52N6O12S2/c1-31(2)63-51(65(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)41(45(55)49-57)26-28-47-43(53)37-16-11-17-38(30-37)44(54)48-29-27-42(46(56)50-58)52(64-32(3)4)66(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-2 in MMPi assay				Bioorg Med Chem Lett 15: 2311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.03.002 BindingDB Entry DOI: 10.7270/Q26W99MN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50165671 (CHEMBL196647 | N-{(R)-3-[(Biphenyl-4-sulfonyl)-iso...) Show SMILES CC(C)ON([C@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C46H52N6O12S2/c1-31(2)63-51(65(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)41(45(55)49-57)26-28-47-43(53)37-16-11-17-38(30-37)44(54)48-29-27-42(46(56)50-58)52(64-32(3)4)66(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-14 in MMPi assay				Bioorg Med Chem Lett 15: 2311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.03.002 BindingDB Entry DOI: 10.7270/Q26W99MN
					More data for this Ligand-Target Pair