BDBM50251363 CHEMBL4069880

SMILES: NS(=O)(=O)c1cccc(c1)\N=C\c1cccc(\C=N\c2cccc(c2)S(N)(=O)=O)c1

InChI Key: InChIKey=XABUAKOMRVZHMS-RNIAWFEPSA-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 = 50251363   

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))	BDBM50251363 (CHEMBL4069880) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1cccc(\C=N\c2cccc(c2)S(N)(=O)=O)c1 Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-8-2-6-17(11-19)23-13-15-4-1-5-16(10-15)14-24-18-7-3-9-20(12-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com. Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 3093-3097 (2017) Article DOI: 10.1016/j.bmc.2017.03.063 BindingDB Entry DOI: 10.7270/Q25T3NXJ
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50251363 (CHEMBL4069880) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1cccc(\C=N\c2cccc(c2)S(N)(=O)=O)c1 Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-8-2-6-17(11-19)23-13-15-4-1-5-16(10-15)14-24-18-7-3-9-20(12-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	678	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com. Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 3093-3097 (2017) Article DOI: 10.1016/j.bmc.2017.03.063 BindingDB Entry DOI: 10.7270/Q25T3NXJ
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50251363 (CHEMBL4069880) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1cccc(\C=N\c2cccc(c2)S(N)(=O)=O)c1 Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-8-2-6-17(11-19)23-13-15-4-1-5-16(10-15)14-24-18-7-3-9-20(12-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com. Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 3093-3097 (2017) Article DOI: 10.1016/j.bmc.2017.03.063 BindingDB Entry DOI: 10.7270/Q25T3NXJ
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50251363 (CHEMBL4069880) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1cccc(\C=N\c2cccc(c2)S(N)(=O)=O)c1 Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-8-2-6-17(11-19)23-13-15-4-1-5-16(10-15)14-24-18-7-3-9-20(12-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com. Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 3093-3097 (2017) Article DOI: 10.1016/j.bmc.2017.03.063 BindingDB Entry DOI: 10.7270/Q25T3NXJ
					More data for this Ligand-Target Pair