Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50570980'   

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))	BDBM50570980 (CHEMBL4847624) Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c(OC)c1 |c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	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.ejmech.2020.112923 BindingDB Entry DOI: 10.7270/Q21N852G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50570980 (CHEMBL4847624) Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c(OC)c1 |c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50570980 (CHEMBL4847624) Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c(OC)c1 |c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA1 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 1 (Homo sapiens (Human))	BDBM50570980 (CHEMBL4847624) Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c(OC)c1 |c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112923 BindingDB Entry DOI: 10.7270/Q21N852G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50570980 (CHEMBL4847624) Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c(OC)c1 |c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50570980 (CHEMBL4847624) Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c(OC)c1 |c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA1 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