BDBM50261563 CHEMBL4089618

SMILES: [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3Cc3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key: InChIKey=YKNWNPFGQDXMTD-NVVUKXAMSA-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 = 50261563   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261563 (CHEMBL4089618) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3Cc3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C30H38N2O5S/c1-30-15-14-24-23-11-7-21(33)17-20(23)6-10-25(24)26(30)12-13-28(30)37-29(34)27-3-2-16-32(27)18-19-4-8-22(9-5-19)38(31,35)36/h4-5,7-9,11,17,24-28,33H,2-3,6,10,12-16,18H2,1H3,(H2,31,35,36)/t24-,25-,26+,27+,28+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
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