BDBM50093564 CHEMBL3585748

SMILES: CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=PTQOZTZTQUKUFX-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 = 50093564   

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))	BDBM50093564 (CHEMBL3585748) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H37N9O5S2/c1-5-43-26-11-10-24(45(41,42)37-18-14-35(4)15-19-37)20-25(26)28-30-27-21(2)33-38(29(27)32-31-28)22-6-8-23(9-7-22)44(39,40)36-16-12-34(3)13-17-36/h6-11,20H,5,12-19H2,1-4H3	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	30	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 1 (Homo sapiens (Human))	BDBM50093564 (CHEMBL3585748) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H37N9O5S2/c1-5-43-26-11-10-24(45(41,42)37-18-14-35(4)15-19-37)20-25(26)28-30-27-21(2)33-38(29(27)32-31-28)22-6-8-23(9-7-22)44(39,40)36-16-12-34(3)13-17-36/h6-11,20H,5,12-19H2,1-4H3	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	467	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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50093564 (CHEMBL3585748) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H37N9O5S2/c1-5-43-26-11-10-24(45(41,42)37-18-14-35(4)15-19-37)20-25(26)28-30-27-21(2)33-38(29(27)32-31-28)22-6-8-23(9-7-22)44(39,40)36-16-12-34(3)13-17-36/h6-11,20H,5,12-19H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	536	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 2 (Homo sapiens (Human))	BDBM50093564 (CHEMBL3585748) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H37N9O5S2/c1-5-43-26-11-10-24(45(41,42)37-18-14-35(4)15-19-37)20-25(26)28-30-27-21(2)33-38(29(27)32-31-28)22-6-8-23(9-7-22)44(39,40)36-16-12-34(3)13-17-36/h6-11,20H,5,12-19H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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