BDBM307648 2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridin-2-yl)-6- (pyridin-3- yl)isoindolin-1-one::US10150755, Compound 40

SMILES: O=C1N(Cc2ccc(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1

InChI Key: InChIKey=BSUVXSRGIZBFQS-UHFFFAOYSA-N

Data: 2 KI  3 IC50  1 Kd

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 6 hits for monomerid = 307648   

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))	BDBM307648 (2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridi...) Show SMILES O=C1N(Cc2ccc(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C23H18N6O/c30-23-19-11-15(16-3-2-10-24-12-16)6-7-17(19)13-28(23)21-5-1-4-20(26-21)22-27-25-14-29(22)18-8-9-18/h1-7,10-12,14,18H,8-9,13H2	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))	BDBM307648 (2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridi...) Show SMILES O=C1N(Cc2ccc(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C23H18N6O/c30-23-19-11-15(16-3-2-10-24-12-16)6-7-17(19)13-28(23)21-5-1-4-20(26-21)22-27-25-14-29(22)18-8-9-18/h1-7,10-12,14,18H,8-9,13H2	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
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM307648 (2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridi...) Show SMILES O=C1N(Cc2ccc(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C23H18N6O/c30-23-19-11-15(16-3-2-10-24-12-16)6-7-17(19)13-28(23)21-5-1-4-20(26-21)22-27-25-14-29(22)18-8-9-18/h1-7,10-12,14,18H,8-9,13H2	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
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM307648 (2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridi...) Show SMILES O=C1N(Cc2ccc(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C23H18N6O/c30-23-19-11-15(16-3-2-10-24-12-16)6-7-17(19)13-28(23)21-5-1-4-20(26-21)22-27-25-14-29(22)18-8-9-18/h1-7,10-12,14,18H,8-9,13H2	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))	BDBM307648 (2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridi...) Show SMILES O=C1N(Cc2ccc(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C23H18N6O/c30-23-19-11-15(16-3-2-10-24-12-16)6-7-17(19)13-28(23)21-5-1-4-20(26-21)22-27-25-14-29(22)18-8-9-18/h1-7,10-12,14,18H,8-9,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM307648 (2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridi...) Show SMILES O=C1N(Cc2ccc(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C23H18N6O/c30-23-19-11-15(16-3-2-10-24-12-16)6-7-17(19)13-28(23)21-5-1-4-20(26-21)22-27-25-14-29(22)18-8-9-18/h1-7,10-12,14,18H,8-9,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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