BDBM102607 US8536172, I-56

SMILES: CCN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N

InChI Key: InChIKey=JRIIDXBHSFEQJI-SOAUALDESA-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 = 102607   

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
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM102607 (US8536172, I-56) Show SMILES CCN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:13.17,wD:10.10,(-11.01,-5.39,;-9.68,-6.16,;-8.34,-5.39,;-8.34,-3.85,;-7.01,-3.08,;-5.68,-3.85,;-5.68,-5.39,;-7.01,-6.16,;-4.34,-3.08,;-3.01,-3.85,;-4.34,-1.54,;-3.01,-.77,;-3.01,.77,;-4.34,1.54,;-5.68,.77,;-5.68,-.77,;-4.34,3.08,;-3.01,3.85,;-3.01,5.39,;-1.68,6.16,;-.34,5.39,;-.34,3.85,;-1.68,3.08,;.99,3.08,;2.46,3.56,;3.36,2.31,;2.46,1.06,;2.78,-.44,;1.63,-1.47,;.17,-1,;-.15,.51,;.99,1.54,;4.26,-.84,;4.66,-2.33,;6.15,-2.73,;7.24,-1.64,;6.84,-.15,;5.35,.25,;8.73,-2.04,;9.82,-.95,;9.13,-3.52,;10.61,-3.92,;11.01,-5.41,)| Show InChI InChI=1S/C32H41N9O2/c1-2-37-16-18-40(19-17-37)31(43)24-6-8-25(9-7-24)35-32-34-14-11-29(36-32)41-15-12-26-27(4-3-5-28(26)41)38-20-22-39(23-21-38)30(42)10-13-33/h3-5,11-12,14-15,24-25H,2,6-10,16-23H2,1H3,(H,34,35,36)/t24-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18.7	n/a	n/a	n/a	n/a	7.5	n/a
Roche Palo Alto LLC US Patent					Assay Description JNK activity was measured by phosphorylation of GST-ATF2 (19-96) with [gamma-33P] ATP.				US Patent US8536172 (2013) BindingDB Entry DOI: 10.7270/Q23N222K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM102607 (US8536172, I-56) Show SMILES CCN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:13.17,wD:10.10,(-11.01,-5.39,;-9.68,-6.16,;-8.34,-5.39,;-8.34,-3.85,;-7.01,-3.08,;-5.68,-3.85,;-5.68,-5.39,;-7.01,-6.16,;-4.34,-3.08,;-3.01,-3.85,;-4.34,-1.54,;-3.01,-.77,;-3.01,.77,;-4.34,1.54,;-5.68,.77,;-5.68,-.77,;-4.34,3.08,;-3.01,3.85,;-3.01,5.39,;-1.68,6.16,;-.34,5.39,;-.34,3.85,;-1.68,3.08,;.99,3.08,;2.46,3.56,;3.36,2.31,;2.46,1.06,;2.78,-.44,;1.63,-1.47,;.17,-1,;-.15,.51,;.99,1.54,;4.26,-.84,;4.66,-2.33,;6.15,-2.73,;7.24,-1.64,;6.84,-.15,;5.35,.25,;8.73,-2.04,;9.82,-.95,;9.13,-3.52,;10.61,-3.92,;11.01,-5.41,)| Show InChI InChI=1S/C32H41N9O2/c1-2-37-16-18-40(19-17-37)31(43)24-6-8-25(9-7-24)35-32-34-14-11-29(36-32)41-15-12-26-27(4-3-5-28(26)41)38-20-22-39(23-21-38)30(42)10-13-33/h3-5,11-12,14-15,24-25H,2,6-10,16-23H2,1H3,(H,34,35,36)/t24-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	7.5	n/a
Roche Palo Alto LLC US Patent					Assay Description JNK activity was measured by phosphorylation of GST-ATF2 (19-96) with [gamma-33P] ATP.				US Patent US8536172 (2013) BindingDB Entry DOI: 10.7270/Q23N222K
					More data for this Ligand-Target Pair