BDBM348806 US9790235, Number I-57

SMILES: COCc1nc(Cl)cc(Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1

InChI Key: InChIKey=LDIVPNQIWIPVKY-SNVBAGLBSA-N

Data: 1 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 1 hit for monomerid = 348806   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348806 (US9790235, Number I-57) Show SMILES COCc1nc(Cl)cc(Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1 |r| Show InChI InChI=1S/C21H18ClN5O3S/c1-10-8-23-19-18-11-3-6-16(30-17-7-14(22)26-15(27-17)9-29-2)25-12(11)4-5-13(18)31-20(19)21(28)24-10/h3-7,10,23H,8-9H2,1-2H3,(H,24,28)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair