BDBM50251179 CHEMBL4076708

SMILES: NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1

InChI Key: InChIKey=SAUMCBNMXFSRFP-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50251179   

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
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251179 (CHEMBL4076708) Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C19H22ClN7/c20-12-3-4-15-14(9-12)18(23-17-10-16(25-26-17)11-1-2-11)24-19(22-15)27-7-5-13(21)6-8-27/h3-4,9-11,13H,1-2,5-8,21H2,(H2,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50251179 (CHEMBL4076708) Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C19H22ClN7/c20-12-3-4-15-14(9-12)18(23-17-10-16(25-26-17)11-1-2-11)24-19(22-15)27-7-5-13(21)6-8-27/h3-4,9-11,13H,1-2,5-8,21H2,(H2,22,23,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251179 (CHEMBL4076708) Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C19H22ClN7/c20-12-3-4-15-14(9-12)18(23-17-10-16(25-26-17)11-1-2-11)24-19(22-15)27-7-5-13(21)6-8-27/h3-4,9-11,13H,1-2,5-8,21H2,(H2,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair