BDBM50504757 CHEMBL4555991

SMILES: Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(Cl)cc1

InChI Key: InChIKey=DAHUUVUKXLICQH-AWQFTUOYSA-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 = 50504757   

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))	BDBM50504757 (CHEMBL4555991) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C16H14ClN7O3S/c17-11-3-1-10(2-4-11)9-20-22-15(25)14-21-16(18)24(23-14)12-5-7-13(8-6-12)28(19,26)27/h1-9H,(H,22,25)(H2,18,21,23)(H2,19,26,27)/b20-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504757 (CHEMBL4555991) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C16H14ClN7O3S/c17-11-3-1-10(2-4-11)9-20-22-15(25)14-21-16(18)24(23-14)12-5-7-13(8-6-12)28(19,26)27/h1-9H,(H,22,25)(H2,18,21,23)(H2,19,26,27)/b20-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50504757 (CHEMBL4555991) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C16H14ClN7O3S/c17-11-3-1-10(2-4-11)9-20-22-15(25)14-21-16(18)24(23-14)12-5-7-13(8-6-12)28(19,26)27/h1-9H,(H,22,25)(H2,18,21,23)(H2,19,26,27)/b20-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504757 (CHEMBL4555991) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C16H14ClN7O3S/c17-11-3-1-10(2-4-11)9-20-22-15(25)14-21-16(18)24(23-14)12-5-7-13(8-6-12)28(19,26)27/h1-9H,(H,22,25)(H2,18,21,23)(H2,19,26,27)/b20-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	703	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair