BDBM50330339 CHEMBL1276018::Ethyl1-(3-(2-(1,3-dioxo-1-phenylbutan-2-ylidene)hydrazinyl)phenyl)-5-phenyl-3-(5-sulfamoyl-1,3,4-thiadiazol-2-ylcarbamoyl)-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)c2ccccc2)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=XPTKRUAPMUPOHI-UHFFFAOYSA-N

Data: 2 KI  4 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 = 50330339   

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))	BDBM50330339 (CHEMBL1276018 | Ethyl1-(3-(2-(1,3-dioxo-1-phenylbu...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)c2ccccc2)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	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 carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330339 (CHEMBL1276018 | Ethyl1-(3-(2-(1,3-dioxo-1-phenylbu...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)c2ccccc2)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)	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	460	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 carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330339 (CHEMBL1276018 | Ethyl1-(3-(2-(1,3-dioxo-1-phenylbu...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)c2ccccc2)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330339 (CHEMBL1276018 | Ethyl1-(3-(2-(1,3-dioxo-1-phenylbu...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)c2ccccc2)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)	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	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330339 (CHEMBL1276018 | Ethyl1-(3-(2-(1,3-dioxo-1-phenylbu...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)c2ccccc2)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)	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	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330339 (CHEMBL1276018 | Ethyl1-(3-(2-(1,3-dioxo-1-phenylbu...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)c2ccccc2)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair