BDBM246513 1-(3-Fluorophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquinazolin-4-yl)phenyl)thiourea (4i)

SMILES: CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2cccc(F)c2)cc1

InChI Key: InChIKey=YXRIGEPGLOFQPB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 246513   

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))	BDBM246513 (1-(3-Fluorophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo...) Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2cccc(F)c2)cc1 |t:3| Show InChI InChI=1S/C25H27FN4O2S/c1-25(2)13-19-21(20(31)14-25)22(30(4)24(32)29(19)3)15-8-10-17(11-9-15)27-23(33)28-18-7-5-6-16(26)12-18/h5-12,22H,13-14H2,1-4H3,(H2,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sakarya University					Assay Description For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...				J Enzyme Inhib Med Chem 29: 18-22 (2014) Article DOI: 10.3109/14756366.2012.746972 BindingDB Entry DOI: 10.7270/Q28S4NVM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246513 (1-(3-Fluorophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo...) Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2cccc(F)c2)cc1 |t:3| Show InChI InChI=1S/C25H27FN4O2S/c1-25(2)13-19-21(20(31)14-25)22(30(4)24(32)29(19)3)15-8-10-17(11-9-15)27-23(33)28-18-7-5-6-16(26)12-18/h5-12,22H,13-14H2,1-4H3,(H2,27,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sakarya University					Assay Description For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...				J Enzyme Inhib Med Chem 29: 18-22 (2014) Article DOI: 10.3109/14756366.2012.746972 BindingDB Entry DOI: 10.7270/Q28S4NVM
					More data for this Ligand-Target Pair