BDBM50172078 LY-2801653::MERESTINIB::Merestinib

SMILES: Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1

InChI Key: InChIKey=QHADVLVFMKEIIP-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 2 PDB IDs match this monomer.

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 6 hits for monomerid = 50172078   

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
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM50172078 (LY-2801653 | MERESTINIB | Merestinib) Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Edinburgh Curated by ChEMBL					Assay Description Inhibition of human full length AXL after 4 hrs followed by stimulation with human recombinant Gas6 for 15 minutes by cell based assay				J Med Chem 59: 3593-608 (2016) BindingDB Entry DOI: 10.7270/Q24M96FS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM50172078 (LY-2801653 | MERESTINIB | Merestinib) Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Edinburgh Curated by ChEMBL					Assay Description Inhibition of human full length AXL by scintillation counting method in presence of 33P-gammaATP				J Med Chem 59: 3593-608 (2016) BindingDB Entry DOI: 10.7270/Q24M96FS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50172078 (LY-2801653 | MERESTINIB | Merestinib) Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK2 (unknown origin)				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50172078 (LY-2801653 | MERESTINIB | Merestinib) Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) by FISH assay				J Med Chem 62: 1731-1760 (2019) Article DOI: 10.1021/acs.jmedchem.8b01092
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50172078 (LY-2801653 | MERESTINIB | Merestinib) Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK1 (unknown origin)				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582
					More data for this Ligand-Target Pair
Macrophage-stimulating protein receptor (Homo sapiens (Human))	BDBM50172078 (LY-2801653 | MERESTINIB | Merestinib) Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of RON (unknown origin) by FISH assay				J Med Chem 62: 1731-1760 (2019) Article DOI: 10.1021/acs.jmedchem.8b01092
					More data for this Ligand-Target Pair