BDBM17738 2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({4-[3-(dimethylamino)propoxy]phenyl}amino)pyrimidin-4-yl]carbamate::2-aminopyrimidine carbamate, 37

SMILES: COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1

InChI Key: InChIKey=JBUBKVHDFJCRSZ-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 = 17738   

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))	BDBM17738 (2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...) Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1 Show InChI InChI=1S/C32H37N5O5/c1-22-9-7-10-23(2)30(22)42-32(38)37(27-16-15-26(39-5)21-28(27)40-6)29-17-18-33-31(35-29)34-24-11-13-25(14-12-24)41-20-8-19-36(3)4/h7,9-18,21H,8,19-20H2,1-6H3,(H,33,34,35)	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))	BDBM17738 (2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...) Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1 Show InChI InChI=1S/C32H37N5O5/c1-22-9-7-10-23(2)30(22)42-32(38)37(27-16-15-26(39-5)21-28(27)40-6)29-17-18-33-31(35-29)34-24-11-13-25(14-12-24)41-20-8-19-36(3)4/h7,9-18,21H,8,19-20H2,1-6H3,(H,33,34,35)	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	230	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))	BDBM17738 (2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...) Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1 Show InChI InChI=1S/C32H37N5O5/c1-22-9-7-10-23(2)30(22)42-32(38)37(27-16-15-26(39-5)21-28(27)40-6)29-17-18-33-31(35-29)34-24-11-13-25(14-12-24)41-20-8-19-36(3)4/h7,9-18,21H,8,19-20H2,1-6H3,(H,33,34,35)	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	2.10E+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))	BDBM17738 (2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...) Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1 Show InChI InChI=1S/C32H37N5O5/c1-22-9-7-10-23(2)30(22)42-32(38)37(27-16-15-26(39-5)21-28(27)40-6)29-17-18-33-31(35-29)34-24-11-13-25(14-12-24)41-20-8-19-36(3)4/h7,9-18,21H,8,19-20H2,1-6H3,(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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