BDBM2546 US8507510, 1.42

SMILES: C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O

InChI Key: InChIKey=XJQPUMGIUIXVMH-QEZCQBAUSA-N

Data: 3 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 3 hits for monomerid = 2546   

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 2 (Homo sapiens (Human))	BDBM2546 (US8507510, 1.42) Show SMILES C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r| Show InChI InChI=1S/C16H22BrN5O2S/c1-10(16(2,3)23)20-14-13(17)9-19-15(22-14)21-11-5-7-12(8-6-11)25(4,18)24/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t10-,25?/m0/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013) BindingDB Entry DOI: 10.7270/Q2V69H76
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM2546 (US8507510, 1.42) Show SMILES C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r| Show InChI InChI=1S/C16H22BrN5O2S/c1-10(16(2,3)23)20-14-13(17)9-19-15(22-14)21-11-5-7-12(8-6-11)25(4,18)24/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t10-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013) BindingDB Entry DOI: 10.7270/Q2V69H76
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM2546 (US8507510, 1.42) Show SMILES C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r| Show InChI InChI=1S/C16H22BrN5O2S/c1-10(16(2,3)23)20-14-13(17)9-19-15(22-14)21-11-5-7-12(8-6-11)25(4,18)24/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t10-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013) BindingDB Entry DOI: 10.7270/Q2V69H76
					More data for this Ligand-Target Pair