BDBM103913 US8562945, 248

SMILES: NOOSc1ccc(NC(=S)NCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1

InChI Key: InChIKey=NQYSYCCBOQYRJO-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 103913   

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))	BDBM103913 (US8562945, 248) Show SMILES NOOSc1ccc(NC(=S)NCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:21,23,28,32,34,t:19| Show InChI InChI=1S/C24H30N6O2S2.Re/c25-31-32-34-23-12-10-20(11-13-23)29-24(33)28-16-4-1-7-17-30(18-21-8-2-5-14-26-21)19-22-9-3-6-15-27-22;/h2-3,5-6,8-15H,1,4,7,16-19,25H2,(H2,28,29,33);/q;+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	770	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM103913 (US8562945, 248) Show SMILES NOOSc1ccc(NC(=S)NCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:21,23,28,32,34,t:19| Show InChI InChI=1S/C24H30N6O2S2.Re/c25-31-32-34-23-12-10-20(11-13-23)29-24(33)28-16-4-1-7-17-30(18-21-8-2-5-14-26-21)19-22-9-3-6-15-27-22;/h2-3,5-6,8-15H,1,4,7,16-19,25H2,(H2,28,29,33);/q;+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	7.4	25
Molecular Insight Pharmaceuticals, Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.				US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD
					More data for this Ligand-Target Pair