BDBM50329059 CHEMBL1236772::GTC000121A::N4-(1H-indazol-4-yl)-N2-(3-(methylsulfonyl)phenyl)pyrimidine-2,4-diamine::N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYLSULFONYL)PHENYL]PYRIMIDINE-2,4-DIAMINE

SMILES: CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1

InChI Key: InChIKey=FIWCLCRWDUELGO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50329059   

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
SYK Kinase (Homo sapiens (Human))	BDBM50329059 (CHEMBL1236772 | GTC000121A | N4-(1H-indazol-4-yl)-...) Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Show InChI InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23)	PDB GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	D3R	n/a	n/a	65.2	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair
SYK Kinase (Homo sapiens (Human))	BDBM50329059 (CHEMBL1236772 | GTC000121A | N4-(1H-indazol-4-yl)-...) Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Show InChI InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23)	PDB GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	D3R	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50329059 (CHEMBL1236772 | GTC000121A | N4-(1H-indazol-4-yl)-...) Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Show InChI InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23)	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	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells				Bioorg Med Chem Lett 20: 6242-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.100 BindingDB Entry DOI: 10.7270/Q2QR4XCB
					More data for this Ligand-Target Pair				3D Structure (crystal)
SYK Kinase (Homo sapiens (Human))	BDBM50329059 (CHEMBL1236772 | GTC000121A | N4-(1H-indazol-4-yl)-...) Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Show InChI InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23)	PDB GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	D3R	n/a	n/a	547	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50329059 (CHEMBL1236772 | GTC000121A | N4-(1H-indazol-4-yl)-...) Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Show InChI InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EphB4 by acoustic dispensing assay				Bioorg Med Chem Lett 20: 6242-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.100 BindingDB Entry DOI: 10.7270/Q2QR4XCB
					More data for this Ligand-Target Pair				3D Structure (crystal)
SYK Kinase (Homo sapiens (Human))	BDBM50329059 (CHEMBL1236772 | GTC000121A | N4-(1H-indazol-4-yl)-...) Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Show InChI InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23)	PDB GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	D3R	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair