BDBM50386175 VIDALOL B

SMILES: Oc1cc(Cc2c(O)c(Br)c(O)c(Cc3cc(O)c(O)c(Br)c3Br)c2O)c(Br)c(Br)c1O

InChI Key: InChIKey=KNHOTGMNAPTUGT-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50386175   

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))	BDBM50386175 (VIDALOL B) Show SMILES Oc1cc(Cc2c(O)c(Br)c(O)c(Cc3cc(O)c(O)c(Br)c3Br)c2O)c(Br)c(Br)c1O Show InChI InChI=1S/C20H13Br5O7/c21-11-5(3-9(26)19(31)13(11)23)1-7-16(28)8(18(30)15(25)17(7)29)2-6-4-10(27)20(32)14(24)12(6)22/h3-4,26-32H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA2 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis				Eur J Med Chem 54: 423-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.025 BindingDB Entry DOI: 10.7270/Q2WS8V91
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50386175 (VIDALOL B) Show SMILES Oc1cc(Cc2c(O)c(Br)c(O)c(Cc3cc(O)c(O)c(Br)c3Br)c2O)c(Br)c(Br)c1O Show InChI InChI=1S/C20H13Br5O7/c21-11-5(3-9(26)19(31)13(11)23)1-7-16(28)8(18(30)15(25)17(7)29)2-6-4-10(27)20(32)14(24)12(6)22/h3-4,26-32H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA4 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis				Eur J Med Chem 54: 423-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.025 BindingDB Entry DOI: 10.7270/Q2WS8V91
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50386175 (VIDALOL B) Show SMILES Oc1cc(Cc2c(O)c(Br)c(O)c(Cc3cc(O)c(O)c(Br)c3Br)c2O)c(Br)c(Br)c1O Show InChI InChI=1S/C20H13Br5O7/c21-11-5(3-9(26)19(31)13(11)23)1-7-16(28)8(18(30)15(25)17(7)29)2-6-4-10(27)20(32)14(24)12(6)22/h3-4,26-32H,1-2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA6 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis				Eur J Med Chem 54: 423-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.025 BindingDB Entry DOI: 10.7270/Q2WS8V91
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50386175 (VIDALOL B) Show SMILES Oc1cc(Cc2c(O)c(Br)c(O)c(Cc3cc(O)c(O)c(Br)c3Br)c2O)c(Br)c(Br)c1O Show InChI InChI=1S/C20H13Br5O7/c21-11-5(3-9(26)19(31)13(11)23)1-7-16(28)8(18(30)15(25)17(7)29)2-6-4-10(27)20(32)14(24)12(6)22/h3-4,26-32H,1-2H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Noncompetitive inhibition of human CA1 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis				Eur J Med Chem 54: 423-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.025 BindingDB Entry DOI: 10.7270/Q2WS8V91
					More data for this Ligand-Target Pair