BDBM50268915 CHEMBL4061078

SMILES: [H][C@@]1(CCNC1=O)N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

InChI Key: InChIKey=DBOIRLRAXAVLDQ-SKPFHBQLSA-N

Data: 2 IC50

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 = 50268915   

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 HCK (Homo sapiens (Human))	BDBM50268915 (CHEMBL4061078) Show SMILES [H][C@@]1(CCNC1=O)N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:11.15,1.0,wD:8.8,(75.41,-22.35,;76.19,-21.03,;76.83,-22.43,;78.36,-22.26,;78.68,-20.75,;77.34,-19.99,;77.17,-18.46,;74.69,-20.72,;74.21,-19.26,;75.24,-18.11,;74.76,-16.64,;73.25,-16.34,;72.22,-17.49,;72.7,-18.94,;72.77,-14.88,;73.68,-13.62,;72.76,-12.37,;73.22,-10.9,;74.73,-10.58,;75.19,-9.12,;74.16,-7.98,;74.62,-6.51,;76.13,-6.18,;77.16,-7.32,;78.66,-6.99,;79.13,-5.52,;78.08,-4.38,;76.58,-4.71,;72.64,-8.31,;72.18,-9.78,;71.28,-12.86,;69.95,-12.09,;69.94,-10.55,;68.62,-12.86,;68.62,-14.41,;69.95,-15.18,;71.29,-14.41,)| Show InChI InChI=1S/C28H30N6O2/c29-26-25-23(18-6-12-22(13-7-18)36-21-4-2-1-3-5-21)16-34(27(25)32-17-31-26)20-10-8-19(9-11-20)33-24-14-15-30-28(24)35/h1-7,12-13,16-17,19-20,24,33H,8-11,14-15H2,(H,30,35)(H2,29,31,32)/t19-,20-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Center for Life Science Technologies Curated by ChEMBL					Assay Description Inhibition of HCK (unknown origin)				Bioorg Med Chem 25: 4259-4264 (2017) Article DOI: 10.1016/j.bmc.2017.05.053 BindingDB Entry DOI: 10.7270/Q2SB4875
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50268915 (CHEMBL4061078) Show SMILES [H][C@@]1(CCNC1=O)N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:11.15,1.0,wD:8.8,(75.41,-22.35,;76.19,-21.03,;76.83,-22.43,;78.36,-22.26,;78.68,-20.75,;77.34,-19.99,;77.17,-18.46,;74.69,-20.72,;74.21,-19.26,;75.24,-18.11,;74.76,-16.64,;73.25,-16.34,;72.22,-17.49,;72.7,-18.94,;72.77,-14.88,;73.68,-13.62,;72.76,-12.37,;73.22,-10.9,;74.73,-10.58,;75.19,-9.12,;74.16,-7.98,;74.62,-6.51,;76.13,-6.18,;77.16,-7.32,;78.66,-6.99,;79.13,-5.52,;78.08,-4.38,;76.58,-4.71,;72.64,-8.31,;72.18,-9.78,;71.28,-12.86,;69.95,-12.09,;69.94,-10.55,;68.62,-12.86,;68.62,-14.41,;69.95,-15.18,;71.29,-14.41,)| Show InChI InChI=1S/C28H30N6O2/c29-26-25-23(18-6-12-22(13-7-18)36-21-4-2-1-3-5-21)16-34(27(25)32-17-31-26)20-10-8-19(9-11-20)33-24-14-15-30-28(24)35/h1-7,12-13,16-17,19-20,24,33H,8-11,14-15H2,(H,30,35)(H2,29,31,32)/t19-,20-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Center for Life Science Technologies Curated by ChEMBL					Assay Description Inhibition of HCK (unknown origin)				Bioorg Med Chem 25: 4259-4264 (2017) Article DOI: 10.1016/j.bmc.2017.05.053 BindingDB Entry DOI: 10.7270/Q2SB4875
					More data for this Ligand-Target Pair