BDBM50130739 CHEMBL3633549

SMILES: Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12

InChI Key: InChIKey=BEDHGUHWDPLEAX-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 = 50130739   

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 9 (Homo sapiens (Human))	BDBM50130739 (CHEMBL3633549) Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50130739 (CHEMBL3633549) Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50130739 (CHEMBL3633549) Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50130739 (CHEMBL3633549) Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair