BDBM50531928 CHEMBL1551854

SMILES: Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1

InChI Key: InChIKey=WPHNNNSMXMVSEU-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50531928   

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
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S55A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R51A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 T278A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 D277A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S50A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 N275A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R302A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531928 (CHEMBL1551854) Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R281A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over ...				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023
					More data for this Ligand-Target Pair