BDBM50340551 (3-(isopropyl(2-(3-(methylsulfonyl)-5-morpholinophenylamino)pyrimidin-4-yl)amino)-4-methylphenyl)methanol::CHEMBL1738764::{4-METHYL-3-[(1-METHYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL

SMILES: CC(C)N(c1ccnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)n1)c1cc(CO)ccc1C

InChI Key: InChIKey=AAXNCGQOXAXDOW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50340551   

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
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50340551 ((3-(isopropyl(2-(3-(methylsulfonyl)-5-morpholinoph...) Show SMILES CC(C)N(c1ccnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)n1)c1cc(CO)ccc1C Show InChI InChI=1S/C26H33N5O4S/c1-18(2)31(24-13-20(17-32)6-5-19(24)3)25-7-8-27-26(29-25)28-21-14-22(30-9-11-35-12-10-30)16-23(15-21)36(4,33)34/h5-8,13-16,18,32H,9-12,17H2,1-4H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human EPHB4				Bioorg Med Chem Lett 21: 2207-11 (2011) Article DOI: 10.1016/j.bmcl.2011.03.009 BindingDB Entry DOI: 10.7270/Q2PK0GGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50340551 ((3-(isopropyl(2-(3-(methylsulfonyl)-5-morpholinoph...) Show SMILES CC(C)N(c1ccnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)n1)c1cc(CO)ccc1C Show InChI InChI=1S/C26H33N5O4S/c1-18(2)31(24-13-20(17-32)6-5-19(24)3)25-7-8-27-26(29-25)28-21-14-22(30-9-11-35-12-10-30)16-23(15-21)36(4,33)34/h5-8,13-16,18,32H,9-12,17H2,1-4H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human EphB4 autophosphorylation expressed in CHOK1 cells				Bioorg Med Chem Lett 21: 2207-11 (2011) Article DOI: 10.1016/j.bmcl.2011.03.009 BindingDB Entry DOI: 10.7270/Q2PK0GGR
					More data for this Ligand-Target Pair				3D Structure (crystal)