Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 331.3 BDBM307686

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM307686 (2-(6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4...) Show SMILES CC1CCc2nnc(-c3cccc(n3)N3Cc4ccccc4C3=O)n12 Show InChI InChI=1S/C19H17N5O/c1-12-9-10-17-21-22-18(24(12)17)15-7-4-8-16(20-15)23-11-13-5-2-3-6-14(13)19(23)25/h2-8,12H,9-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SEAL ROCK THERAPEUTICS, INC. US Patent					Assay Description The ASK1 enzymatic assay was run following Promega ASK1 Kinase Enzyme System (Cat #V3881). The kit provides the protocol, enzymes and all reagents ne...				US Patent US10150755 (2018) BindingDB Entry DOI: 10.7270/Q2125VQ8
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM307686 (2-(6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4...) Show SMILES CC1CCc2nnc(-c3cccc(n3)N3Cc4ccccc4C3=O)n12 Show InChI InChI=1S/C19H17N5O/c1-12-9-10-17-21-22-18(24(12)17)15-7-4-8-16(20-15)23-11-13-5-2-3-6-14(13)19(23)25/h2-8,12H,9-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SEAL ROCK THERAPEUTICS, INC. US Patent					Assay Description MYLK dissociation constants (Kd) for compounds were determined using the DiscoverX KdELECT platform. The MYLK kinase (accession number NP_444254.3) w...				US Patent US10150755 (2018) BindingDB Entry DOI: 10.7270/Q2125VQ8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM307686 (2-(6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4...) Show SMILES CC1CCc2nnc(-c3cccc(n3)N3Cc4ccccc4C3=O)n12 Show InChI InChI=1S/C19H17N5O/c1-12-9-10-17-21-22-18(24(12)17)15-7-4-8-16(20-15)23-11-13-5-2-3-6-14(13)19(23)25/h2-8,12H,9-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
SEAL ROCK THERAPEUTICS, INC. US Patent					Assay Description The ASK1 enzymatic assay was run following Promega ASK1 Kinase Enzyme System (Cat #V3881). The kit provides the protocol, enzymes and all reagents ne...				US Patent US10150755 (2018) BindingDB Entry DOI: 10.7270/Q27P91GS
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM307686 (2-(6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4...) Show SMILES CC1CCc2nnc(-c3cccc(n3)N3Cc4ccccc4C3=O)n12 Show InChI InChI=1S/C19H17N5O/c1-12-9-10-17-21-22-18(24(12)17)15-7-4-8-16(20-15)23-11-13-5-2-3-6-14(13)19(23)25/h2-8,12H,9-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a
SEAL ROCK THERAPEUTICS, INC. US Patent					Assay Description MYLK dissociation constants (Kd) for compounds were determined using the DiscoverX KdELECT platform. The MYLK kinase (accession number NP_444254.3) w...				US Patent US10150755 (2018) BindingDB Entry DOI: 10.7270/Q27P91GS
					More data for this Ligand-Target Pair