BDBM50205574 CHEMBL3950179

SMILES: O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1ccc(cc1)-c1nnn[nH]1

InChI Key: InChIKey=LVGQVJNALGOCQX-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 = 50205574   

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 1 (Homo sapiens (Human))	BDBM50205574 (CHEMBL3950179) Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1ccc(cc1)-c1nnn[nH]1 |c:5,t:9| Show InChI InChI=1S/C20H18N4O3/c25-13-3-1-5-15-18(13)17(19-14(26)4-2-6-16(19)27-15)11-7-9-12(10-8-11)20-21-23-24-22-20/h7-10,17H,1-6H2,(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50205574 (CHEMBL3950179) Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1ccc(cc1)-c1nnn[nH]1 |c:5,t:9| Show InChI InChI=1S/C20H18N4O3/c25-13-3-1-5-15-18(13)17(19-14(26)4-2-6-16(19)27-15)11-7-9-12(10-8-11)20-21-23-24-22-20/h7-10,17H,1-6H2,(H,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50205574 (CHEMBL3950179) Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1ccc(cc1)-c1nnn[nH]1 |c:5,t:9| Show InChI InChI=1S/C20H18N4O3/c25-13-3-1-5-15-18(13)17(19-14(26)4-2-6-16(19)27-15)11-7-9-12(10-8-11)20-21-23-24-22-20/h7-10,17H,1-6H2,(H,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50205574 (CHEMBL3950179) Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1ccc(cc1)-c1nnn[nH]1 |c:5,t:9| Show InChI InChI=1S/C20H18N4O3/c25-13-3-1-5-15-18(13)17(19-14(26)4-2-6-16(19)27-15)11-7-9-12(10-8-11)20-21-23-24-22-20/h7-10,17H,1-6H2,(H,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair