BDBM50101737 (R)-(4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[methyl-(morpholine-4-carbonyl)-amino]-cyclohexyl}-acetic acid::CHEMBL410737

SMILES: COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@H](CC1)N(C)C(=O)N1CCOCC1)C(O)=O

InChI Key: InChIKey=LYAHBKLKJSTSGZ-OTNCWRBYSA-N

Data: 1 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 1 hit for monomerid = 50101737   

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))	BDBM50101737 ((R)-(4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[meth...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@H](CC1)N(C)C(=O)N1CCOCC1)C(O)=O |wU:22.27,19.21,wD:18.19,(19.06,4.14,;17.73,4.89,;16.38,4.12,;16.38,2.58,;15.06,1.81,;13.73,2.58,;13.73,4.12,;15.03,4.89,;12.39,1.81,;12.39,.23,;11.05,-.52,;9.72,.23,;9.72,1.79,;11.05,2.58,;8.39,-.52,;7.28,-1.62,;9.47,-1.62,;7.02,.23,;5.69,-.52,;5.69,-2.08,;7.02,-2.83,;7.02,-4.38,;5.67,-5.16,;4.36,-4.38,;4.36,-2.83,;5.69,-6.69,;7.02,-7.46,;4.36,-7.49,;4.36,-9.04,;3.03,-6.72,;1.69,-7.49,;.36,-6.72,;.36,-5.18,;1.69,-4.4,;3.03,-5.18,;4.36,.23,;3.03,-.52,;4.36,1.79,)| Show InChI InChI=1S/C27H35N3O7S/c1-29(27(33)30-15-17-37-18-16-30)22-9-3-21(4-10-22)25(26(31)32)28-38(34,35)24-13-7-20(8-14-24)19-5-11-23(36-2)12-6-19/h5-8,11-14,21-22,25,28H,3-4,9-10,15-18H2,1-2H3,(H,31,32)/t21-,22+,25-/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	81	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