BDBM348771 US9790235, Number I-22

SMILES: OC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1

InChI Key: InChIKey=DTQNXEBTPZTFFY-VIFPVBQESA-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 = 348771   

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))	BDBM348771 (US9790235, Number I-22) Show SMILES OC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H15ClN6O2S/c20-13-5-15(23-8-22-13)26-14-4-1-10-11(25-14)2-3-12-16(10)17-18(29-12)19(28)24-9(7-27)6-21-17/h1-5,8-9,21,27H,6-7H2,(H,24,28)(H,22,23,25,26)/t9-/m0/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