BDBM50235685 CHEMBL4065414

SMILES: CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1

InChI Key: InChIKey=ABIDBNFWUQWIAS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50235685   

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))	BDBM50235685 (CHEMBL4065414) Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-2-38-26(35)24-31-33(17-10-12-18(13-11-17)40(28,36)37)27-30-23-22(25(34)32(24)27)19(16-7-4-3-5-8-16)15-20(29-23)21-9-6-14-39-21/h3-15H,2H2,1H3,(H2,28,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...				Bioorg Med Chem 25: 2210-2217 (2017) Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50235685 (CHEMBL4065414) Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-2-38-26(35)24-31-33(17-10-12-18(13-11-17)40(28,36)37)27-30-23-22(25(34)32(24)27)19(16-7-4-3-5-8-16)15-20(29-23)21-9-6-14-39-21/h3-15H,2H2,1H3,(H2,28,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells				Bioorg Med Chem 25: 2210-2217 (2017) Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50235685 (CHEMBL4065414) Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-2-38-26(35)24-31-33(17-10-12-18(13-11-17)40(28,36)37)27-30-23-22(25(34)32(24)27)19(16-7-4-3-5-8-16)15-20(29-23)21-9-6-14-39-21/h3-15H,2H2,1H3,(H2,28,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	6.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of human platelet adhesion to fibrinogen				Bioorg Med Chem 25: 2210-2217 (2017) Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD
					More data for this Ligand-Target Pair