BDBM50101517 4-(2-{3-[3-Cyclohexyl-2-(2-hydroxycarbamoylmethyl-5-phenyl-pentanoylamino)-propionylamino]-propionylamino}-ethyl)-benzenesulfonic acid::CHEMBL306256

SMILES: ONC(=O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCc1ccc(cc1)S(O)(=O)=O

InChI Key: InChIKey=LDNUXKXHGIVDIF-PXJZQJOASA-N

Data: 3 KI

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 = 50101517   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101517 (4-(2-{3-[3-Cyclohexyl-2-(2-hydroxycarbamoylmethyl-...) Show SMILES ONC(=O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCc1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C33H46N4O8S/c38-30(34-20-18-25-14-16-28(17-15-25)46(43,44)45)19-21-35-33(41)29(22-26-10-5-2-6-11-26)36-32(40)27(23-31(39)37-42)13-7-12-24-8-3-1-4-9-24/h1,3-4,8-9,14-17,26-27,29,42H,2,5-7,10-13,18-23H2,(H,34,38)(H,35,41)(H,36,40)(H,37,39)(H,43,44,45)/t27-,29+/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	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50101517 (4-(2-{3-[3-Cyclohexyl-2-(2-hydroxycarbamoylmethyl-...) Show SMILES ONC(=O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCc1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C33H46N4O8S/c38-30(34-20-18-25-14-16-28(17-15-25)46(43,44)45)19-21-35-33(41)29(22-26-10-5-2-6-11-26)36-32(40)27(23-31(39)37-42)13-7-12-24-8-3-1-4-9-24/h1,3-4,8-9,14-17,26-27,29,42H,2,5-7,10-13,18-23H2,(H,34,38)(H,35,41)(H,36,40)(H,37,39)(H,43,44,45)/t27-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	81.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-3				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101517 (4-(2-{3-[3-Cyclohexyl-2-(2-hydroxycarbamoylmethyl-...) Show SMILES ONC(=O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCc1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C33H46N4O8S/c38-30(34-20-18-25-14-16-28(17-15-25)46(43,44)45)19-21-35-33(41)29(22-26-10-5-2-6-11-26)36-32(40)27(23-31(39)37-42)13-7-12-24-8-3-1-4-9-24/h1,3-4,8-9,14-17,26-27,29,42H,2,5-7,10-13,18-23H2,(H,34,38)(H,35,41)(H,36,40)(H,37,39)(H,43,44,45)/t27-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	942	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-1				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair