BDBM246506 1-(4-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquina zolin-4-yl)phenyl)urea (4b)

SMILES: COc1ccc(NC(=O)Nc2ccc(cc2)C2N(C)C(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1

InChI Key: InChIKey=IWUGSFBFQSDHCE-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 = 246506   

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))	BDBM246506 (1-(4-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-ox...) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)C2N(C)C(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 |c:24| Show InChI InChI=1S/C26H30N4O4/c1-26(2)14-20-22(21(31)15-26)23(30(4)25(33)29(20)3)16-6-8-17(9-7-16)27-24(32)28-18-10-12-19(34-5)13-11-18/h6-13,23H,14-15H2,1-5H3,(H2,27,28,32)	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	1.57E+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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246506 (1-(4-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-ox...) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)C2N(C)C(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 |c:24| Show InChI InChI=1S/C26H30N4O4/c1-26(2)14-20-22(21(31)15-26)23(30(4)25(33)29(20)3)16-6-8-17(9-7-16)27-24(32)28-18-10-12-19(34-5)13-11-18/h6-13,23H,14-15H2,1-5H3,(H2,27,28,32)	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	1.53E+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