Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50504291'   

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 9 (Homo sapiens (Human))	BDBM50504291 (CHEMBL4447913) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2c(OCc3cn(CCCOc4ccc5ccc(=O)oc5c4)nn3)ccc3ccccc23)cc1 Show InChI InChI=1S/C33H29N5O6S/c34-45(40,41)28-12-6-23(7-13-28)19-35-20-30-29-5-2-1-4-24(29)9-14-31(30)43-22-26-21-38(37-36-26)16-3-17-42-27-11-8-25-10-15-33(39)44-32(25)18-27/h1-2,4-15,18,20-21H,3,16-17,19,22H2,(H2,34,40,41)/b35-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 by stopped-flow assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116140 BindingDB Entry DOI: 10.7270/Q2TM7FWZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504291 (CHEMBL4447913) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2c(OCc3cn(CCCOc4ccc5ccc(=O)oc5c4)nn3)ccc3ccccc23)cc1 Show InChI InChI=1S/C33H29N5O6S/c34-45(40,41)28-12-6-23(7-13-28)19-35-20-30-29-5-2-1-4-24(29)9-14-31(30)43-22-26-21-38(37-36-26)16-3-17-42-27-11-8-25-10-15-33(39)44-32(25)18-27/h1-2,4-15,18,20-21H,3,16-17,19,22H2,(H2,34,40,41)/b35-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair