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SMILES: O=C1N(Cc2cc(OC3CCCC3)c(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1

InChI Key: InChIKey=QXEUJUYSECCFGD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 307677   

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 kinase kinase 5 (Homo sapiens (Human))	BDBM307677 (US10150755, Compound 69) Show SMILES O=C1N(Cc2cc(OC3CCCC3)c(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C28H26N6O2/c35-28-23-14-22(18-5-4-12-29-15-18)25(36-21-6-1-2-7-21)13-19(23)16-33(28)26-9-3-8-24(31-26)27-32-30-17-34(27)20-10-11-20/h3-5,8-9,12-15,17,20-21H,1-2,6-7,10-11,16H2	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))	BDBM307677 (US10150755, Compound 69) Show SMILES O=C1N(Cc2cc(OC3CCCC3)c(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C28H26N6O2/c35-28-23-14-22(18-5-4-12-29-15-18)25(36-21-6-1-2-7-21)13-19(23)16-33(28)26-9-3-8-24(31-26)27-32-30-17-34(27)20-10-11-20/h3-5,8-9,12-15,17,20-21H,1-2,6-7,10-11,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	600	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
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM307677 (US10150755, Compound 69) Show SMILES O=C1N(Cc2cc(OC3CCCC3)c(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C28H26N6O2/c35-28-23-14-22(18-5-4-12-29-15-18)25(36-21-6-1-2-7-21)13-19(23)16-33(28)26-9-3-8-24(31-26)27-32-30-17-34(27)20-10-11-20/h3-5,8-9,12-15,17,20-21H,1-2,6-7,10-11,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.00E+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
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM307677 (US10150755, Compound 69) Show SMILES O=C1N(Cc2cc(OC3CCCC3)c(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C28H26N6O2/c35-28-23-14-22(18-5-4-12-29-15-18)25(36-21-6-1-2-7-21)13-19(23)16-33(28)26-9-3-8-24(31-26)27-32-30-17-34(27)20-10-11-20/h3-5,8-9,12-15,17,20-21H,1-2,6-7,10-11,16H2	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
Tumor necrosis factor (Homo sapiens (Human))	BDBM307677 (US10150755, Compound 69) Show SMILES O=C1N(Cc2cc(OC3CCCC3)c(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C28H26N6O2/c35-28-23-14-22(18-5-4-12-29-15-18)25(36-21-6-1-2-7-21)13-19(23)16-33(28)26-9-3-8-24(31-26)27-32-30-17-34(27)20-10-11-20/h3-5,8-9,12-15,17,20-21H,1-2,6-7,10-11,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SEAL ROCK THERAPEUTICS, INC. US Patent					Assay Description Cryopreserved human PBMCs were obtained from AllCells (cat# PB003F). After thawing/dilution protocols using RPMI medium supplemented with 5% FBS (hea...				US Patent US10150755 (2018) BindingDB Entry DOI: 10.7270/Q27P91GS
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM307677 (US10150755, Compound 69) Show SMILES O=C1N(Cc2cc(OC3CCCC3)c(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C28H26N6O2/c35-28-23-14-22(18-5-4-12-29-15-18)25(36-21-6-1-2-7-21)13-19(23)16-33(28)26-9-3-8-24(31-26)27-32-30-17-34(27)20-10-11-20/h3-5,8-9,12-15,17,20-21H,1-2,6-7,10-11,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Cryopreserved human PBMCs were obtained from AllCells (cat# PB003F). After thawing/dilution protocols using RPMI medium supplemented with 5% FBS (hea...				US Patent US10150755 (2018) BindingDB Entry DOI: 10.7270/Q2125VQ8
					More data for this Ligand-Target Pair