BDBM50221257 4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(4-methylpentan-2-ylidene)semicarbazide::CHEMBL235506

SMILES: CC(C)CC=NNC(=O)Nc1nnc(S)s1

InChI Key: InChIKey=PINOROQDJJEYIM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50221257   

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
Thymidylate synthase (Mus musculus)	BDBM50221257 (4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...) Show SMILES CC(C)CC=NNC(=O)Nc1nnc(S)s1 |w:5.5| Show InChI InChI=1S/C8H13N5OS2/c1-5(2)3-4-9-11-6(14)10-7-12-13-8(15)16-7/h4-5H,3H2,1-2H3,(H,13,15)(H2,10,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Time-independent inhibition of thymidylate synthase from parenteral L1210 cells				J Med Chem 43: 4647-56 (2001) BindingDB Entry DOI: 10.7270/Q2TT4RPX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50221257 (4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...) Show SMILES CC(C)CC=NNC(=O)Nc1nnc(S)s1 |w:5.5| Show InChI InChI=1S/C8H13N5OS2/c1-5(2)3-4-9-11-6(14)10-7-12-13-8(15)16-7/h4-5H,3H2,1-2H3,(H,13,15)(H2,10,11,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Assiut University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method				Bioorg Med Chem 15: 6975-84 (2007) Article DOI: 10.1016/j.bmc.2007.07.044 BindingDB Entry DOI: 10.7270/Q2P26XV5
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50221257 (4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...) Show SMILES CC(C)CC=NNC(=O)Nc1nnc(S)s1 |w:5.5| Show InChI InChI=1S/C8H13N5OS2/c1-5(2)3-4-9-11-6(14)10-7-12-13-8(15)16-7/h4-5H,3H2,1-2H3,(H,13,15)(H2,10,11,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Assiut University Curated by ChEMBL					Assay Description Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method				Bioorg Med Chem 15: 6975-84 (2007) Article DOI: 10.1016/j.bmc.2007.07.044 BindingDB Entry DOI: 10.7270/Q2P26XV5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50221257 (4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...) Show SMILES CC(C)CC=NNC(=O)Nc1nnc(S)s1 |w:5.5| Show InChI InChI=1S/C8H13N5OS2/c1-5(2)3-4-9-11-6(14)10-7-12-13-8(15)16-7/h4-5H,3H2,1-2H3,(H,13,15)(H2,10,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Assiut University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method				Bioorg Med Chem 15: 6975-84 (2007) Article DOI: 10.1016/j.bmc.2007.07.044 BindingDB Entry DOI: 10.7270/Q2P26XV5
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50221257 (4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...) Show SMILES CC(C)CC=NNC(=O)Nc1nnc(S)s1 |w:5.5| Show InChI InChI=1S/C8H13N5OS2/c1-5(2)3-4-9-11-6(14)10-7-12-13-8(15)16-7/h4-5H,3H2,1-2H3,(H,13,15)(H2,10,11,12,14)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dTMP synthetase with respect to dUMP.				J Med Chem 24: 1161-5 (1982) BindingDB Entry DOI: 10.7270/Q2B56K8B
					More data for this Ligand-Target Pair