BDBM50228839 CHEMBL415414

SMILES: [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=BXJBYSKTRZASJM-GXTUSLNOSA-N

Data: 2 KI  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 4 hits for monomerid = 50228839   

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
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50228839 (CHEMBL415414) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C54H94N28O13S/c1-28(74-41(85)29(2)82-96(94,95)39-17-3-10-30-26-67-25-18-31(30)39)40(84)81-38(27-83)47(91)79-35(14-7-22-71-52(61)62)45(89)77-33(12-5-20-69-50(57)58)43(87)75-32(11-4-19-68-49(55)56)42(86)76-34(13-6-21-70-51(59)60)44(88)78-36(15-8-23-72-53(63)64)46(90)80-37(48(92)93)16-9-24-73-54(65)66/h3,10,17-18,25-26,28-29,32-38,82-83H,4-9,11-16,19-24,27H2,1-2H3,(H,74,85)(H,75,87)(H,76,86)(H,77,89)(H,78,88)(H,79,91)(H,80,90)(H,81,84)(H,92,93)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t28-,29-,32-,33-,34-,35-,36-,37-,38-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Displacement of ATP from protein kinase A (PKA)				J Med Chem 34: 73-8 (1991) BindingDB Entry DOI: 10.7270/Q2J38VS9
					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM50228839 (CHEMBL415414) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C54H94N28O13S/c1-28(74-41(85)29(2)82-96(94,95)39-17-3-10-30-26-67-25-18-31(30)39)40(84)81-38(27-83)47(91)79-35(14-7-22-71-52(61)62)45(89)77-33(12-5-20-69-50(57)58)43(87)75-32(11-4-19-68-49(55)56)42(86)76-34(13-6-21-70-51(59)60)44(88)78-36(15-8-23-72-53(63)64)46(90)80-37(48(92)93)16-9-24-73-54(65)66/h3,10,17-18,25-26,28-29,32-38,82-83H,4-9,11-16,19-24,27H2,1-2H3,(H,74,85)(H,75,87)(H,76,86)(H,77,89)(H,78,88)(H,79,91)(H,80,90)(H,81,84)(H,92,93)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t28-,29-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Displacement of ATP from protein kinase C (PKC)				J Med Chem 34: 73-8 (1991) BindingDB Entry DOI: 10.7270/Q2J38VS9
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50228839 (CHEMBL415414) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C54H94N28O13S/c1-28(74-41(85)29(2)82-96(94,95)39-17-3-10-30-26-67-25-18-31(30)39)40(84)81-38(27-83)47(91)79-35(14-7-22-71-52(61)62)45(89)77-33(12-5-20-69-50(57)58)43(87)75-32(11-4-19-68-49(55)56)42(86)76-34(13-6-21-70-51(59)60)44(88)78-36(15-8-23-72-53(63)64)46(90)80-37(48(92)93)16-9-24-73-54(65)66/h3,10,17-18,25-26,28-29,32-38,82-83H,4-9,11-16,19-24,27H2,1-2H3,(H,74,85)(H,75,87)(H,76,86)(H,77,89)(H,78,88)(H,79,91)(H,80,90)(H,81,84)(H,92,93)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t28-,29-,32-,33-,34-,35-,36-,37-,38-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of cAMP-dependent protein kinase (PKA).				J Med Chem 34: 73-8 (1991) BindingDB Entry DOI: 10.7270/Q2J38VS9
					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM50228839 (CHEMBL415414) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C54H94N28O13S/c1-28(74-41(85)29(2)82-96(94,95)39-17-3-10-30-26-67-25-18-31(30)39)40(84)81-38(27-83)47(91)79-35(14-7-22-71-52(61)62)45(89)77-33(12-5-20-69-50(57)58)43(87)75-32(11-4-19-68-49(55)56)42(86)76-34(13-6-21-70-51(59)60)44(88)78-36(15-8-23-72-53(63)64)46(90)80-37(48(92)93)16-9-24-73-54(65)66/h3,10,17-18,25-26,28-29,32-38,82-83H,4-9,11-16,19-24,27H2,1-2H3,(H,74,85)(H,75,87)(H,76,86)(H,77,89)(H,78,88)(H,79,91)(H,80,90)(H,81,84)(H,92,93)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t28-,29-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of protein kinase C (PKC)				J Med Chem 34: 73-8 (1991) BindingDB Entry DOI: 10.7270/Q2J38VS9
					More data for this Ligand-Target Pair