BDBM50283712 4-{2-[(S)-3-Cyclohexyl-2-((R)-2-hydroxycarbamoylmethyl-5-phenyl-pentanoylamino)-propionylamino]-ethyl}-benzenesulfonic acid::CHEMBL90743

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

InChI Key: InChIKey=YQELKCVHKSQHTN-VPUSJEBWSA-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 = 50283712   

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))	BDBM50283712 (4-{2-[(S)-3-Cyclohexyl-2-((R)-2-hydroxycarbamoylme...) Show SMILES ONC(=O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C30H41N3O7S/c34-28(33-37)21-25(13-7-12-22-8-3-1-4-9-22)29(35)32-27(20-24-10-5-2-6-11-24)30(36)31-19-18-23-14-16-26(17-15-23)41(38,39)40/h1,3-4,8-9,14-17,24-25,27,37H,2,5-7,10-13,18-21H2,(H,31,36)(H,32,35)(H,33,34)(H,38,39,40)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the gelatinase-A enzyme.				Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50283712 (4-{2-[(S)-3-Cyclohexyl-2-((R)-2-hydroxycarbamoylme...) Show SMILES ONC(=O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C30H41N3O7S/c34-28(33-37)21-25(13-7-12-22-8-3-1-4-9-22)29(35)32-27(20-24-10-5-2-6-11-24)30(36)31-19-18-23-14-16-26(17-15-23)41(38,39)40/h1,3-4,8-9,14-17,24-25,27,37H,2,5-7,10-13,18-21H2,(H,31,36)(H,32,35)(H,33,34)(H,38,39,40)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the stromelysin enzyme.				Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50283712 (4-{2-[(S)-3-Cyclohexyl-2-((R)-2-hydroxycarbamoylme...) Show SMILES ONC(=O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C30H41N3O7S/c34-28(33-37)21-25(13-7-12-22-8-3-1-4-9-22)29(35)32-27(20-24-10-5-2-6-11-24)30(36)31-19-18-23-14-16-26(17-15-23)41(38,39)40/h1,3-4,8-9,14-17,24-25,27,37H,2,5-7,10-13,18-21H2,(H,31,36)(H,32,35)(H,33,34)(H,38,39,40)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	942	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the collagenase enzyme.				Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0
					More data for this Ligand-Target Pair