BDBM50284294 CHEMBL4159017

SMILES: N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=UPRHJCSDNBGNBC-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 = 50284294   

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))	BDBM50284294 (CHEMBL4159017) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-8-10-17(11-9-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-7-2-1-6-18(19)42-13-14-4-3-5-15(12-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50284294 (CHEMBL4159017) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-8-10-17(11-9-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-7-2-1-6-18(19)42-13-14-4-3-5-15(12-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50284294 (CHEMBL4159017) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-8-10-17(11-9-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-7-2-1-6-18(19)42-13-14-4-3-5-15(12-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50284294 (CHEMBL4159017) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-8-10-17(11-9-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-7-2-1-6-18(19)42-13-14-4-3-5-15(12-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair