BDBM50396797 CHEMBL2172750

SMILES: N[C@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O

InChI Key: InChIKey=XHCXISPZIHYKQD-WDSKDSINSA-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 = 50396797   

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))	BDBM50396797 (CHEMBL2172750) Show SMILES N[C@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r| Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.26E+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))	BDBM50396797 (CHEMBL2172750) Show SMILES N[C@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r| Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6-/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	n/a	n/a	8.24E+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))	BDBM50396797 (CHEMBL2172750) Show SMILES N[C@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r| Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6-/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	n/a	n/a	8.28E+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))	BDBM50396797 (CHEMBL2172750) Show SMILES N[C@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r| Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6-/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	n/a	n/a	7.14E+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