BDBM50188238 CHEMBL3827906

SMILES: COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1

InChI Key: InChIKey=VLCUEJVDJGHEME-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50188238   

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
Platelet-activating factor acetylhydrolase IB subunit beta (Homo sapiens (Human))	BDBM50188238 (CHEMBL3827906) Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1 Show InChI InChI=1S/C49H59BrClN13O11S/c1-74-26-25-61(29-42(67)60(24-8-6-22-53)28-41(66)59(27-40(54)65)23-7-5-21-52)43(68)30-63(58-48(72)55-37-9-3-2-4-10-37)44(69)31-62(56-46(71)34-13-17-36(51)18-14-34)45(70)32-64-49(73)75-47(57-64)39-20-19-38(76-39)33-11-15-35(50)16-12-33/h2-4,9-20H,5-8,21-32,52-53H2,1H3,(H2,54,65)(H,56,71)(H2,55,58,72)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as substrate by Ellman's assay				Bioorg Med Chem 24: 3953-3963 (2016) BindingDB Entry DOI: 10.7270/Q2668G45
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit beta (Homo sapiens (Human))	BDBM50188238 (CHEMBL3827906) Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1 Show InChI InChI=1S/C49H59BrClN13O11S/c1-74-26-25-61(29-42(67)60(24-8-6-22-53)28-41(66)59(27-40(54)65)23-7-5-21-52)43(68)30-63(58-48(72)55-37-9-3-2-4-10-37)44(69)31-62(56-46(71)34-13-17-36(51)18-14-34)45(70)32-64-49(73)75-47(57-64)39-20-19-38(76-39)33-11-15-35(50)16-12-33/h2-4,9-20H,5-8,21-32,52-53H2,1H3,(H2,54,65)(H,56,71)(H2,55,58,72)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Time-dependent inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as substrate by Ellman's assay				Bioorg Med Chem 24: 3953-3963 (2016) BindingDB Entry DOI: 10.7270/Q2668G45
					More data for this Ligand-Target Pair