BDBM50434582 CHEMBL2386594

SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cccnc1

InChI Key: InChIKey=BQQYXPHRXIZMDM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50434582   

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
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50434582 (CHEMBL2386594) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Acelot, Inc. Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (unknown origin)				Bioorg Med Chem Lett 25: 2713-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.027 BindingDB Entry DOI: 10.7270/Q2JW8GNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50434582 (CHEMBL2386594) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Acelot, Inc. Curated by ChEMBL					Assay Description Inhibition of wild type LRRK2 (unknown origin) assessed as inhibition of LRRKtide phosphorylation after 120 mins by radiometric assay in presence of ...				Bioorg Med Chem Lett 25: 2713-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.027 BindingDB Entry DOI: 10.7270/Q2JW8GNW
					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50434582 (CHEMBL2386594) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human BCR-ABL1 autophosphorylation expressed in mouse BA/F3 cells by ELISA				Bioorg Med Chem 21: 3231-9 (2013) Article DOI: 10.1016/j.bmc.2013.03.038 BindingDB Entry DOI: 10.7270/Q2B27WPS
					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50434582 (CHEMBL2386594) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human BCR-ABL1 expressed in mouse BA/F3 cells assessed as cell growth inhibition by ATP-depletion assay				Bioorg Med Chem 21: 3231-9 (2013) Article DOI: 10.1016/j.bmc.2013.03.038 BindingDB Entry DOI: 10.7270/Q2B27WPS
					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50434582 (CHEMBL2386594) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	512	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human BCR-ABL1 (unknown origin) expressed in mouse 32D cells				Bioorg Med Chem 21: 3231-9 (2013) Article DOI: 10.1016/j.bmc.2013.03.038 BindingDB Entry DOI: 10.7270/Q2B27WPS
					More data for this Ligand-Target Pair