BDBM50526216 CHEMBL4553725

SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C

InChI Key: InChIKey=OXJJSKDUGJXXAV-RGEXLXHISA-N

Data: 1 KI  6 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 7 hits for monomerid = 50526216   

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))	BDBM50526216 (CHEMBL4553725) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human FLT3 D835Y mutant (571 to 993 residues) expressed in baculovirus expression system preincubated for 5 to...				J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50526216 (CHEMBL4553725) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Binding affinity to human FLT3 ITD/D835V double mutant expressed in baculovirus expression system				J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50526216 (CHEMBL4553725) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Binding affinity to auto-inhibited form of wild type human N-terminal GST-tagged FLT3 expressed in baculovirus expression				J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50526216 (CHEMBL4553725) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Binding affinity to human FLT3 ITD/F691L double mutant expressed in baculovirus expression system				J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50526216 (CHEMBL4553725) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Binding affinity to non-auto-inhibited form of wild type human N-terminal GST-tagged FLT3 expressed in baculovirus expression				J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50526216 (CHEMBL4553725) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Binding affinity to human FLT3 ITD mutant expressed in baculovirus expression system				J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50526216 (CHEMBL4553725) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Binding affinity to human FLT3 D835H mutant expressed in baculovirus expression system				J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714
					More data for this Ligand-Target Pair