BDBM50130749 CHEMBL3633381

SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12

InChI Key: InChIKey=FTMQBPMLRMDJGE-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 = 50130749   

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))	BDBM50130749 (CHEMBL3633381) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	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))	BDBM50130749 (CHEMBL3633381) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)	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	9	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 9 (Homo sapiens (Human))	BDBM50130749 (CHEMBL3633381) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)	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	20	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 12 (Homo sapiens (Human))	BDBM50130749 (CHEMBL3633381) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	84	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