BDBM7765 3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene]sulfonyl}guanidine::3-{[4-({[Amino(imino)methyl]amino}sulfonyl)anilino]-methylene}-2-oxo-2,3-dihydro-1H-indole::CS241::Oxindole-Based Inhibitor 101

SMILES: NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12

InChI Key: InChIKey=HVRGRSJTLJOTDB-UHFFFAOYSA-N

Data: 2 IC50  3 Kd

PDB links: 2 PDB IDs match 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 5 hits for monomerid = 7765   

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))	BDBM7765 (3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...) Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	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 (CDK2) (Homo sapiens (Human))	BDBM7765 (3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...) Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	660	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 (crystal)
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM7765 (3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...) Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	210	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012) Article DOI: 10.1007/s10822-014-9735-1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7765 (3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...) Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.77E+3	n/a	n/a	n/a	7.5	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012) Article DOI: 10.1007/s10822-012-9554-1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7765 (3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...) Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	287	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012) Article DOI: 10.1007/s10822-012-9554-1
					More data for this Ligand-Target Pair				3D Structure (crystal)