BDBM50185299 CHEMBL3823200

SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1

InChI Key: InChIKey=FNEDBWUYFNKTAB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50185299   

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 12 (Homo sapiens (Human))	BDBM50185299 (CHEMBL3823200) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50185299 (CHEMBL3823200) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50185299 (CHEMBL3823200) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50185299 (CHEMBL3823200) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50185299 (CHEMBL3823200) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50185299 (CHEMBL3823200) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair