BDBM50468201 CHEMBL4292491

SMILES: Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1

InChI Key: InChIKey=MOQLTEFWRJQFEZ-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches 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 3 hits for monomerid = 50468201   

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50468201 (CHEMBL4292491) Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C25H26N6O2S/c1-16-5-4-6-20(28-16)24-23(21-14-25(2,3)15-31(21)30-24)17-11-12-27-22(13-17)29-18-7-9-19(10-8-18)34(26,32)33/h4-13H,14-15H2,1-3H3,(H,27,29)(H2,26,32,33)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP				Eur J Med Chem 127: 632-642 (2017) Article DOI: 10.1016/j.ejmech.2017.01.018 BindingDB Entry DOI: 10.7270/Q29Z97MF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50468201 (CHEMBL4292491) Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C25H26N6O2S/c1-16-5-4-6-20(28-16)24-23(21-14-25(2,3)15-31(21)30-24)17-11-12-27-22(13-17)29-18-7-9-19(10-8-18)34(26,32)33/h4-13H,14-15H2,1-3H3,(H,27,29)(H2,26,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP				Eur J Med Chem 127: 632-642 (2017) Article DOI: 10.1016/j.ejmech.2017.01.018 BindingDB Entry DOI: 10.7270/Q29Z97MF
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50468201 (CHEMBL4292491) Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C25H26N6O2S/c1-16-5-4-6-20(28-16)24-23(21-14-25(2,3)15-31(21)30-24)17-11-12-27-22(13-17)29-18-7-9-19(10-8-18)34(26,32)33/h4-13H,14-15H2,1-3H3,(H,27,29)(H2,26,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin E expressed in Sf9 insect cells using histone H1 as substrate in presence of [gamma-33P]ATP				Eur J Med Chem 127: 632-642 (2017) Article DOI: 10.1016/j.ejmech.2017.01.018 BindingDB Entry DOI: 10.7270/Q29Z97MF
					More data for this Ligand-Target Pair