BDBM50116427 CHEMBL3604419

SMILES: CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=OXVGTYUWTSCSAX-FQEVSTJZSA-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 = 50116427   

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))	BDBM50116427 (CHEMBL3604419) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116427 (CHEMBL3604419) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50116427 (CHEMBL3604419) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	264	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116427 (CHEMBL3604419) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair