Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bone morphogenetic protein 1' and Ligand = 'BDBM50111841'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50111841 ((S)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(CSC[C@@H](N(Cc2ccc3OCOc3c2)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1 Show InChI InChI=1S/C26H28N2O8S2/c1-33-20-6-3-18(4-7-20)15-37-16-23(26(29)27-30)28(14-19-5-12-24-25(13-19)36-17-35-24)38(31,32)22-10-8-21(34-2)9-11-22/h3-13,23,30H,14-17H2,1-2H3,(H,27,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibitory activity against Procollagen C-Proteinase (PCP)				Bioorg Med Chem Lett 12: 1233-5 (2002) BindingDB Entry DOI: 10.7270/Q29C6WR3
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