BDBM50513866 CHEMBL4450810

SMILES: COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F

InChI Key: InChIKey=QRDCOOSKIFYKIQ-UHFFFAOYSA-N

Data: 3 IC50  9 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 12 hits for monomerid = 50513866   

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
Mixed lineage kinase 7 (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to human ZAK				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to human ABL1				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to human BLK				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to human LIMK1				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to human LIMK2				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to human LCK				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
Mixed lineage kinase 7 (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to ATP-binding site of human ZAK expressed in Escherichia coli by active site-dependent competition binding assay				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
Mixed lineage kinase 7 (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to human FLT3 F691L mutant				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of human ABL1				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM50513866 (CHEMBL4450810) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to human RIPK2				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair