Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50279676'   

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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50279676 (CHEMBL4159776) Show SMILES OB1OCc2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C14H12BN3O4S/c19-15-13-7-11(2-1-9(13)8-22-15)17-14(23)16-10-3-5-12(6-4-10)18(20)21/h1-7,19H,8H2,(H2,16,17,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	385	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50279676 (CHEMBL4159776) Show SMILES OB1OCc2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C14H12BN3O4S/c19-15-13-7-11(2-1-9(13)8-22-15)17-14(23)16-10-3-5-12(6-4-10)18(20)21/h1-7,19H,8H2,(H2,16,17,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116748 BindingDB Entry DOI: 10.7270/Q2MG7TGW
					More data for this Ligand-Target Pair