BDBM307621 2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridin-2-yl)-5- (4-hydroxy-4- methylpiperidine-1- carbonyl)isoindolin- 1-one::US10150755, Compound 13

SMILES: CC1(O)CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

InChI Key: InChIKey=XVUGGUXEXVQXAD-UHFFFAOYSA-N

Data: 1 KI  3 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 = 307621   

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))	BDBM307621 (2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridi...) Show SMILES CC1(O)CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C25H26N6O3/c1-25(34)9-11-29(12-10-25)23(32)16-5-8-19-17(13-16)14-30(24(19)33)21-4-2-3-20(27-21)22-28-26-15-31(22)18-6-7-18/h2-5,8,13,15,18,34H,6-7,9-12,14H2,1H3	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
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM307621 (2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridi...) Show SMILES CC1(O)CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C25H26N6O3/c1-25(34)9-11-29(12-10-25)23(32)16-5-8-19-17(13-16)14-30(24(19)33)21-4-2-3-20(27-21)22-28-26-15-31(22)18-6-7-18/h2-5,8,13,15,18,34H,6-7,9-12,14H2,1H3	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
Tumor necrosis factor (Homo sapiens (Human))	BDBM307621 (2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridi...) Show SMILES CC1(O)CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C25H26N6O3/c1-25(34)9-11-29(12-10-25)23(32)16-5-8-19-17(13-16)14-30(24(19)33)21-4-2-3-20(27-21)22-28-26-15-31(22)18-6-7-18/h2-5,8,13,15,18,34H,6-7,9-12,14H2,1H3	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	>1.00E+4	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))	BDBM307621 (2-(6-(4-cyclopropyl- 4H-1,2,4-triazol-3- yl)pyridi...) Show SMILES CC1(O)CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C25H26N6O3/c1-25(34)9-11-29(12-10-25)23(32)16-5-8-19-17(13-16)14-30(24(19)33)21-4-2-3-20(27-21)22-28-26-15-31(22)18-6-7-18/h2-5,8,13,15,18,34H,6-7,9-12,14H2,1H3	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	5.50E+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/Q2125VQ8
					More data for this Ligand-Target Pair