BDBM50235688 CHEMBL4078512

SMILES: COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1

InChI Key: InChIKey=WYEKATGEEIIFLU-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 = 50235688   

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))	BDBM50235688 (CHEMBL4078512) Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(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	Article PubMed	420	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 tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...				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 4 (Homo sapiens (Human))	BDBM50235688 (CHEMBL4078512) Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(H2,28,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.23E+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 ADP-induced human platelet aggregation				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 2 (Homo sapiens (Human))	BDBM50235688 (CHEMBL4078512) Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(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	Article PubMed	2.98E+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 1 (Homo sapiens (Human))	BDBM50235688 (CHEMBL4078512) Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(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	Article PubMed	9.04E+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 ADP-induced human platelet aggregation				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