BDBM50093560 CHEMBL3585752

SMILES: CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@H](C)O

InChI Key: InChIKey=GAMWIBJAJVPQNP-HNNXBMFYSA-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 = 50093560   

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))	BDBM50093560 (CHEMBL3585752) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@H](C)O |r| Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50093560 (CHEMBL3585752) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@H](C)O |r| Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50093560 (CHEMBL3585752) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@H](C)O |r| Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50093560 (CHEMBL3585752) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@H](C)O |r| Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair