BDBM50253877 CHEMBL4104834

SMILES: NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3F)cc1

InChI Key: InChIKey=PMBOZYNUDMFIIW-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 = 50253877   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50253877 (CHEMBL4104834) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3F)cc1 Show InChI InChI=1S/C15H12FN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...				Bioorg Med Chem 25: 3714-3718 (2017) Article DOI: 10.1016/j.bmc.2017.05.029 BindingDB Entry DOI: 10.7270/Q2Z03BMN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253877 (CHEMBL4104834) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3F)cc1 Show InChI InChI=1S/C15H12FN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...				Bioorg Med Chem 25: 3714-3718 (2017) Article DOI: 10.1016/j.bmc.2017.05.029 BindingDB Entry DOI: 10.7270/Q2Z03BMN
					More data for this Ligand-Target Pair
Carbonic anhydrase-related protein 11 (Homo sapiens)	BDBM50253877 (CHEMBL4104834) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3F)cc1 Show InChI InChI=1S/C15H12FN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...				Bioorg Med Chem 25: 3714-3718 (2017) Article DOI: 10.1016/j.bmc.2017.05.029 BindingDB Entry DOI: 10.7270/Q2Z03BMN
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50253877 (CHEMBL4104834) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3F)cc1 Show InChI InChI=1S/C15H12FN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...				Bioorg Med Chem 25: 3714-3718 (2017) Article DOI: 10.1016/j.bmc.2017.05.029 BindingDB Entry DOI: 10.7270/Q2Z03BMN
					More data for this Ligand-Target Pair