BDBM14807 3-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-propan-1-ol::3-({5,6-diphenylfuro[2,3-d]pyrimidin-4-yl}amino)propan-1-ol::DFP-4AP::furanopyrimidine compound 9

SMILES: OCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1

InChI Key: InChIKey=YMJMFVBYCYLFJZ-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 5 PDB IDs contain inhibitors having a similarity of 90% to 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 = 14807   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14807 (3-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-pr...) Show SMILES OCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C21H19N3O2/c25-13-7-12-22-20-18-17(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)26-21(18)24-14-23-20/h1-6,8-11,14,25H,7,12-13H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM14807 (3-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-pr...) Show SMILES OCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C21H19N3O2/c25-13-7-12-22-20-18-17(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)26-21(18)24-14-23-20/h1-6,8-11,14,25H,7,12-13H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	25
University of Pittsburgh School of Medicine					Assay Description In vitro kinase activity of Nef-Hck complex and Hck alone using Z'-lyte kinase assay system and Tyr2 peptide substrate from Invitrogen.				ACS Chem Biol 4: 939-47 (2009) Article DOI: 10.1021/cb900195c BindingDB Entry DOI: 10.7270/Q2PG1Q32
					More data for this Ligand-Target Pair
Tryrosine-Protein Kinase (HCK) + Protein Nef (NEF) (Homo sapiens (Human)-Human immunodeficiency virus ...)	BDBM14807 (3-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-pr...) Show SMILES OCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C21H19N3O2/c25-13-7-12-22-20-18-17(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)26-21(18)24-14-23-20/h1-6,8-11,14,25H,7,12-13H2,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	25
University of Pittsburgh School of Medicine					Assay Description In vitro kinase activity of Nef-Hck complex and Hck alone using Z'-lyte kinase assay system and Tyr2 peptide substrate from Invitrogen.				ACS Chem Biol 4: 939-47 (2009) Article DOI: 10.1021/cb900195c BindingDB Entry DOI: 10.7270/Q2PG1Q32
					More data for this Ligand-Target Pair