BDBM462705 US10780090, Compound I-43::{(1R,2S,4R)-4-[(5-{[4-(3-chlorobenzyl)-2-thienyl]carbonyl}pyrimidin-4-yl)amino]-2- hydroxycyclopentyl}methyl sulfamate

SMILES: NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2cccc(Cl)c2)cs1

InChI Key: InChIKey=PKHLGIWBWMPLAR-SUMDDJOVSA-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 = 462705   

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
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462705 (US10780090, Compound I-43 | {(1R,2S,4R)-4-[(5-{[4-...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2cccc(Cl)c2)cs1 Show InChI InChI=1S/C22H23ClN4O5S2/c23-16-3-1-2-13(5-16)4-14-6-20(33-11-14)21(29)18-9-25-12-26-22(18)27-17-7-15(19(28)8-17)10-32-34(24,30)31/h1-3,5-6,9,11-12,15,17,19,28H,4,7-8,10H2,(H2,24,30,31)(H,25,26,27)/t15-,17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020)
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