BDBM50492033 CHEMBL2392830

SMILES: CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(C1)S(C)(=O)=O

InChI Key: InChIKey=YIVZAUQCWPPATQ-GAZRBOARSA-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 = 50492033   

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 9 (Homo sapiens (Human))	BDBM50492033 (CHEMBL2392830) Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(C1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(17.22,-45.97,;18.56,-46.73,;17.79,-48.07,;19.33,-48.07,;19.89,-45.97,;19.89,-44.43,;21.22,-43.66,;21.22,-42.12,;19.89,-41.35,;18.56,-42.12,;18.56,-43.66,;19.89,-39.81,;21.22,-39.04,;21.22,-37.51,;22.55,-36.73,;23.89,-37.5,;23.89,-39.04,;22.56,-39.81,;25.34,-39.55,;26.61,-38.67,;27.83,-39.61,;27.33,-41.06,;28.06,-42.4,;27.26,-43.71,;25.72,-43.68,;24.99,-42.33,;25.79,-41.02,;29.6,-42.44,;30.47,-43.71,;31.95,-43.27,;31.99,-41.73,;30.54,-41.22,;33.26,-40.86,;34.65,-41.52,;33.92,-39.47,;32.39,-39.59,)| Show InChI InChI=1S/C24H32N6O4S2/c1-35(31,32)19-11-14-29(16-19)21-4-3-5-22-20(21)12-15-30(22)23-10-13-25-24(27-23)26-17-6-8-18(9-7-17)28-36(2,33)34/h3-5,10,12-13,15,17-19,28H,6-9,11,14,16H2,1-2H3,(H,25,26,27)/t17-,18-,19?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human JNK2alpha2 using GST-tagged ATF2 as substrate preincubated for 10 mins prior to substrate addition measured after 30 mins by micr...				Bioorg Med Chem Lett 23: 3565-9 (2013) Article DOI: 10.1016/j.bmcl.2013.04.029 BindingDB Entry DOI: 10.7270/Q2MG7SF1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50492033 (CHEMBL2392830) Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(C1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(17.22,-45.97,;18.56,-46.73,;17.79,-48.07,;19.33,-48.07,;19.89,-45.97,;19.89,-44.43,;21.22,-43.66,;21.22,-42.12,;19.89,-41.35,;18.56,-42.12,;18.56,-43.66,;19.89,-39.81,;21.22,-39.04,;21.22,-37.51,;22.55,-36.73,;23.89,-37.5,;23.89,-39.04,;22.56,-39.81,;25.34,-39.55,;26.61,-38.67,;27.83,-39.61,;27.33,-41.06,;28.06,-42.4,;27.26,-43.71,;25.72,-43.68,;24.99,-42.33,;25.79,-41.02,;29.6,-42.44,;30.47,-43.71,;31.95,-43.27,;31.99,-41.73,;30.54,-41.22,;33.26,-40.86,;34.65,-41.52,;33.92,-39.47,;32.39,-39.59,)| Show InChI InChI=1S/C24H32N6O4S2/c1-35(31,32)19-11-14-29(16-19)21-4-3-5-22-20(21)12-15-30(22)23-10-13-25-24(27-23)26-17-6-8-18(9-7-17)28-36(2,33)34/h3-5,10,12-13,15,17-19,28H,6-9,11,14,16H2,1-2H3,(H,25,26,27)/t17-,18-,19?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human JNK1alpha1 using GST-tagged ATF2 as substrate preincubated for 10 mins prior to substrate addition measured after 30 mins by micr...				Bioorg Med Chem Lett 23: 3565-9 (2013) Article DOI: 10.1016/j.bmcl.2013.04.029 BindingDB Entry DOI: 10.7270/Q2MG7SF1
					More data for this Ligand-Target Pair