BDBM50101508 2-[3-(4-Chloro-phenyl)-propyl]-N*1*-(2-cyclohexyl-1-{2-[2-(morpholine-4-sulfonylamino)-ethylcarbamoyl]-ethylcarbamoyl}-ethyl)-N*4*-hydroxy-succinamide::CHEMBL264859

SMILES: ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCNS(=O)(=O)N1CCOCC1

InChI Key: InChIKey=YALGTTXMUHXKRY-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 = 50101508   

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))	BDBM50101508 (2-[3-(4-Chloro-phenyl)-propyl]-N*1*-(2-cyclohexyl-...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCNS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H49ClN6O8S/c32-26-11-9-23(10-12-26)7-4-8-25(22-29(40)37-43)30(41)36-27(21-24-5-2-1-3-6-24)31(42)34-14-13-28(39)33-15-16-35-47(44,45)38-17-19-46-20-18-38/h9-12,24-25,27,35,43H,1-8,13-22H2,(H,33,39)(H,34,42)(H,36,41)(H,37,40)/t25-,27+/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	0.0100	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))	BDBM50101508 (2-[3-(4-Chloro-phenyl)-propyl]-N*1*-(2-cyclohexyl-...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCNS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H49ClN6O8S/c32-26-11-9-23(10-12-26)7-4-8-25(22-29(40)37-43)30(41)36-27(21-24-5-2-1-3-6-24)31(42)34-14-13-28(39)33-15-16-35-47(44,45)38-17-19-46-20-18-38/h9-12,24-25,27,35,43H,1-8,13-22H2,(H,33,39)(H,34,42)(H,36,41)(H,37,40)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.73	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))	BDBM50101508 (2-[3-(4-Chloro-phenyl)-propyl]-N*1*-(2-cyclohexyl-...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCNS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H49ClN6O8S/c32-26-11-9-23(10-12-26)7-4-8-25(22-29(40)37-43)30(41)36-27(21-24-5-2-1-3-6-24)31(42)34-14-13-28(39)33-15-16-35-47(44,45)38-17-19-46-20-18-38/h9-12,24-25,27,35,43H,1-8,13-22H2,(H,33,39)(H,34,42)(H,36,41)(H,37,40)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	302	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