BDBM50270358 CHEMBL4076277

SMILES: O=C(Nc1ccc(CNC2CC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12

InChI Key: InChIKey=NMWURSLYBLOJKP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50270358   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270358 (CHEMBL4076277) Show SMILES O=C(Nc1ccc(CNC2CC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12 Show InChI InChI=1S/C20H19N7OS/c28-19(25-14-3-1-12(2-4-14)9-21-13-5-6-13)17-16(10-24-27-17)26-18-15-7-8-29-20(15)23-11-22-18/h1-4,7-8,10-11,13,21H,5-6,9H2,(H,24,27)(H,25,28)(H,22,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
CDK2/Cyclin A1 (Homo sapiens (Human))	BDBM50270358 (CHEMBL4076277) Show SMILES O=C(Nc1ccc(CNC2CC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12 Show InChI InChI=1S/C20H19N7OS/c28-19(25-14-3-1-12(2-4-14)9-21-13-5-6-13)17-16(10-24-27-17)26-18-15-7-8-29-20(15)23-11-22-18/h1-4,7-8,10-11,13,21H,5-6,9H2,(H,24,27)(H,25,28)(H,22,23,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair