BDBM50190612 (2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-but-2-enoic acid methyl ester::CHEMBL2070203::CHEMBL208722

SMILES: COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1

InChI Key: InChIKey=BFBAOTVZHHOALZ-UHFFFAOYSA-N

Data: 4 KI  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 6 hits for monomerid = 50190612   

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))	BDBM50190612 ((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...) Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique				Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50190612 ((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...) Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique				Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50190612 ((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...) Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique				Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50190612 ((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...) Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique				Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50190612 ((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...) Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3' processing activity				J Med Chem 49: 4248-60 (2006) Article DOI: 10.1021/jm060193m BindingDB Entry DOI: 10.7270/Q2T15384
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50190612 ((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...) Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				J Med Chem 49: 4248-60 (2006) Article DOI: 10.1021/jm060193m BindingDB Entry DOI: 10.7270/Q2T15384
					More data for this Ligand-Target Pair