BDBM50335664 (2R,4S)-methyl 4-(2-o-tolylquinazolin-4-ylamino)pyrrolidine-2-carboxylate::CHEMBL1650112

SMILES: COC(=O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1C

InChI Key: InChIKey=QCNZUCJNJHGZSX-KBXCAEBGSA-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 = 50335664   

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
Serine/threonine-protein kinase CHK2 (Homo sapiens (Human))	BDBM50335664 ((2R,4S)-methyl 4-(2-o-tolylquinazolin-4-ylamino)py...) Show SMILES COC(=O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1C |r| Show InChI InChI=1S/C21H22N4O2/c1-13-7-3-4-8-15(13)19-24-17-10-6-5-9-16(17)20(25-19)23-14-11-18(22-12-14)21(26)27-2/h3-10,14,18,22H,11-12H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK2 by DELFIA assay				J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50335664 ((2R,4S)-methyl 4-(2-o-tolylquinazolin-4-ylamino)py...) Show SMILES COC(=O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1C |r| Show InChI InChI=1S/C21H22N4O2/c1-13-7-3-4-8-15(13)19-24-17-10-6-5-9-16(17)20(25-19)23-14-11-18(22-12-14)21(26)27-2/h3-10,14,18,22H,11-12H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 by DELFIA assay				J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX
					More data for this Ligand-Target Pair