null

SMILES: CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1

InChI Key: InChIKey=QBJTZMHQYSXLMN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50107374   

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 2 (Homo sapiens (Human))	BDBM50107374 (CHEMBL3601460) Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50107374 (CHEMBL3601460) Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50107374 (CHEMBL3601460) Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50107374 (CHEMBL3601460) Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair