BDBM7743 4-[2-(7-Oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]benzenesulfonamide::4-{2-[(12Z)-11-oxo-3-thia-5,10-diazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8-tetraen-12-ylidene]hydrazin-1-yl}benzene-1-sulfonamide::Oxindole-Based Inhibitor 79

SMILES: NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1

InChI Key: InChIKey=WZAQPWKZSBDCHK-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 7743   

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
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM7743 (4-[2-(7-Oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]ind...) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:9.8| Show InChI InChI=1S/C15H11N5O3S2/c16-25(22,23)9-3-1-8(2-4-9)19-20-13-12-10(18-15(13)21)5-6-11-14(12)24-7-17-11/h1-7,19H,(H2,16,22,23)(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7743 (4-[2-(7-Oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]ind...) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:9.8| Show InChI InChI=1S/C15H11N5O3S2/c16-25(22,23)9-3-1-8(2-4-9)19-20-13-12-10(18-15(13)21)5-6-11-14(12)24-7-17-11/h1-7,19H,(H2,16,22,23)(H,18,20,21)	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	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of CDK2				J Med Chem 51: 1179-88 (2008) Article DOI: 10.1021/jm070654j BindingDB Entry DOI: 10.7270/Q29Z95RD
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7743 (4-[2-(7-Oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]ind...) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:9.8| Show InChI InChI=1S/C15H11N5O3S2/c16-25(22,23)9-3-1-8(2-4-9)19-20-13-12-10(18-15(13)21)5-6-11-14(12)24-7-17-11/h1-7,19H,(H2,16,22,23)(H,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of CDK1				J Med Chem 51: 1179-88 (2008) Article DOI: 10.1021/jm070654j BindingDB Entry DOI: 10.7270/Q29Z95RD
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM7743 (4-[2-(7-Oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]ind...) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:9.8| Show InChI InChI=1S/C15H11N5O3S2/c16-25(22,23)9-3-1-8(2-4-9)19-20-13-12-10(18-15(13)21)5-6-11-14(12)24-7-17-11/h1-7,19H,(H2,16,22,23)(H,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair				3D Structure (docked)