BDBM17743 2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)pyrimidin-4-yl]carbamate::2-aminopyrimidine carbamate, 42

SMILES: COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1

InChI Key: InChIKey=YOVKYZJMWCAPJA-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 4 hits for monomerid = 17743   

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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM17743 (2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...) Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 Show InChI InChI=1S/C36H44N6O6/c1-25-9-7-10-26(2)34(25)48-36(43)42(29-13-12-28(44-4)24-31(29)45-5)33-15-16-37-35(39-33)38-27-11-14-30(32(23-27)46-6)47-22-8-17-41-20-18-40(3)19-21-41/h7,9-16,23-24H,8,17-22H2,1-6H3,(H,37,38,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	22
Amgen					Assay Description The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...				J Med Chem 49: 4981-91 (2006) Article DOI: 10.1021/jm060435i BindingDB Entry DOI: 10.7270/Q2SB440C
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM17743 (2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...) Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 Show InChI InChI=1S/C36H44N6O6/c1-25-9-7-10-26(2)34(25)48-36(43)42(29-13-12-28(44-4)24-31(29)45-5)33-15-16-37-35(39-33)38-27-11-14-30(32(23-27)46-6)47-22-8-17-41-20-18-40(3)19-21-41/h7,9-16,23-24H,8,17-22H2,1-6H3,(H,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...				J Med Chem 49: 4981-91 (2006) Article DOI: 10.1021/jm060435i BindingDB Entry DOI: 10.7270/Q2SB440C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM17743 (2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...) Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 Show InChI InChI=1S/C36H44N6O6/c1-25-9-7-10-26(2)34(25)48-36(43)42(29-13-12-28(44-4)24-31(29)45-5)33-15-16-37-35(39-33)38-27-11-14-30(32(23-27)46-6)47-22-8-17-41-20-18-40(3)19-21-41/h7,9-16,23-24H,8,17-22H2,1-6H3,(H,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...				J Med Chem 49: 4981-91 (2006) Article DOI: 10.1021/jm060435i BindingDB Entry DOI: 10.7270/Q2SB440C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM17743 (2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...) Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 Show InChI InChI=1S/C36H44N6O6/c1-25-9-7-10-26(2)34(25)48-36(43)42(29-13-12-28(44-4)24-31(29)45-5)33-15-16-37-35(39-33)38-27-11-14-30(32(23-27)46-6)47-22-8-17-41-20-18-40(3)19-21-41/h7,9-16,23-24H,8,17-22H2,1-6H3,(H,37,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...				J Med Chem 49: 4981-91 (2006) Article DOI: 10.1021/jm060435i BindingDB Entry DOI: 10.7270/Q2SB440C
					More data for this Ligand-Target Pair