BDBM50030877 CHEMBL3356124

SMILES: Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3nc4ccccc4s3)C2)cc1Cl

InChI Key: InChIKey=FBTSKWSQTLDOFN-MRXNPFEDSA-N

Data: 4 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 4 hits for monomerid = 50030877   

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 1 (Homo sapiens (Human))	BDBM50030877 (CHEMBL3356124) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3nc4ccccc4s3)C2)cc1Cl |r| Show InChI InChI=1S/C24H26ClN5O3S/c25-18-13-17(5-6-20(18)31)26-23(33)16-7-8-28(14-16)15-22(32)29-9-11-30(12-10-29)24-27-19-3-1-2-4-21(19)34-24/h1-6,13,16,31H,7-12,14-15H2,(H,26,33)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay				J Med Chem 57: 8817-26 (2014) Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50030877 (CHEMBL3356124) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3nc4ccccc4s3)C2)cc1Cl |r| Show InChI InChI=1S/C24H26ClN5O3S/c25-18-13-17(5-6-20(18)31)26-23(33)16-7-8-28(14-16)15-22(32)29-9-11-30(12-10-29)24-27-19-3-1-2-4-21(19)34-24/h1-6,13,16,31H,7-12,14-15H2,(H,26,33)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay				J Med Chem 57: 8817-26 (2014) Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50030877 (CHEMBL3356124) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3nc4ccccc4s3)C2)cc1Cl |r| Show InChI InChI=1S/C24H26ClN5O3S/c25-18-13-17(5-6-20(18)31)26-23(33)16-7-8-28(14-16)15-22(32)29-9-11-30(12-10-29)24-27-19-3-1-2-4-21(19)34-24/h1-6,13,16,31H,7-12,14-15H2,(H,26,33)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay				J Med Chem 57: 8817-26 (2014) Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50030877 (CHEMBL3356124) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3nc4ccccc4s3)C2)cc1Cl |r| Show InChI InChI=1S/C24H26ClN5O3S/c25-18-13-17(5-6-20(18)31)26-23(33)16-7-8-28(14-16)15-22(32)29-9-11-30(12-10-29)24-27-19-3-1-2-4-21(19)34-24/h1-6,13,16,31H,7-12,14-15H2,(H,26,33)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay				J Med Chem 57: 8817-26 (2014) Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D
					More data for this Ligand-Target Pair