BDBM50396800 CHEMBL2172749

SMILES: CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC

InChI Key: InChIKey=ZRDMGKMQRSWULW-UHFFFAOYSA-N

Data: 4 IC50

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 = 50396800   

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))	BDBM50396800 (CHEMBL2172749) Show SMILES CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC Show InChI InChI=1S/C14H30N2O8P2/c1-5-21-25(19,22-6-2)13(17)15-11-9-10-12-16-14(18)26(20,23-7-3)24-8-4/h5-12H2,1-4H3,(H,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50396800 (CHEMBL2172749) Show SMILES CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC Show InChI InChI=1S/C14H30N2O8P2/c1-5-21-25(19,22-6-2)13(17)15-11-9-10-12-16-14(18)26(20,23-7-3)24-8-4/h5-12H2,1-4H3,(H,15,17)(H,16,18)	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	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50396800 (CHEMBL2172749) Show SMILES CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC Show InChI InChI=1S/C14H30N2O8P2/c1-5-21-25(19,22-6-2)13(17)15-11-9-10-12-16-14(18)26(20,23-7-3)24-8-4/h5-12H2,1-4H3,(H,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50396800 (CHEMBL2172749) Show SMILES CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC Show InChI InChI=1S/C14H30N2O8P2/c1-5-21-25(19,22-6-2)13(17)15-11-9-10-12-16-14(18)26(20,23-7-3)24-8-4/h5-12H2,1-4H3,(H,15,17)(H,16,18)	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	n/a	n/a	9.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair