BDBM50093556 CHEMBL3585756

SMILES: CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=VJAAXPKEDHFXAO-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 = 50093556   

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 12 (Homo sapiens (Human))	BDBM50093556 (CHEMBL3585756) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H36ClN9O5S2/c1-5-44-25-8-7-22(45(40,41)37-14-10-35(3)11-15-37)19-23(25)28-31-27-20(2)34-39(29(27)33-32-28)21-6-9-26(24(30)18-21)46(42,43)38-16-12-36(4)13-17-38/h6-9,18-19H,5,10-17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	79	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 9 (Homo sapiens (Human))	BDBM50093556 (CHEMBL3585756) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H36ClN9O5S2/c1-5-44-25-8-7-22(45(40,41)37-14-10-35(3)11-15-37)19-23(25)28-31-27-20(2)34-39(29(27)33-32-28)21-6-9-26(24(30)18-21)46(42,43)38-16-12-36(4)13-17-38/h6-9,18-19H,5,10-17H2,1-4H3	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	417	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))	BDBM50093556 (CHEMBL3585756) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H36ClN9O5S2/c1-5-44-25-8-7-22(45(40,41)37-14-10-35(3)11-15-37)19-23(25)28-31-27-20(2)34-39(29(27)33-32-28)21-6-9-26(24(30)18-21)46(42,43)38-16-12-36(4)13-17-38/h6-9,18-19H,5,10-17H2,1-4H3	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	571	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))	BDBM50093556 (CHEMBL3585756) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H36ClN9O5S2/c1-5-44-25-8-7-22(45(40,41)37-14-10-35(3)11-15-37)19-23(25)28-31-27-20(2)34-39(29(27)33-32-28)21-6-9-26(24(30)18-21)46(42,43)38-16-12-36(4)13-17-38/h6-9,18-19H,5,10-17H2,1-4H3	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-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