BDBM50038960 CHEMBL302587::{2-[(S)-3-Phenyl-2-(4-sulfamoyl-benzoylamino)-propionylamino]-acetylamino}-acetic acid

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(O)=O

InChI Key: InChIKey=VXHKLHFFEDZMGH-INIZCTEOSA-N

Data: 1 Kd

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 = 50038960   

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))	BDBM50038960 (CHEMBL302587 | {2-[(S)-3-Phenyl-2-(4-sulfamoyl-ben...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(O)=O Show InChI InChI=1S/C20H22N4O7S/c21-32(30,31)15-8-6-14(7-9-15)19(28)24-16(10-13-4-2-1-3-5-13)20(29)23-11-17(25)22-12-18(26)27/h1-9,16H,10-12H2,(H,22,25)(H,23,29)(H,24,28)(H,26,27)(H2,21,30,31)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Dissociation constant against human Carbonic anhydrase II (HCA II)				J Med Chem 37: 2100-5 (1994) BindingDB Entry DOI: 10.7270/Q2TX3DDV
					More data for this Ligand-Target Pair