BDBM226354 US9328096, 47

SMILES: CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1

InChI Key: InChIKey=NXDRKVFQQJUBOG-UHFFFAOYSA-N

Data: 6 IC50  1 Kd

PDB links: 1 PDB ID matches 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 7 hits for monomerid = 226354   

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 kinase receptor A (TrkA) (Homo sapiens (Human))	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	37
Pfizer Inc. US Patent					Assay Description TRKA co-expressed with p75: The assays are based upon DiscoveRx's proprietary Enzyme Fragment Complementation (EFC) technology. In the case of the TR...				US Patent US9328096 (2016) BindingDB Entry DOI: 10.7270/Q2FN152J
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Rattus norvegicus)	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at unphosphorylated rat TrkA expressed in baculovirus expression system preincubated for 20 mins followed by TK-substrate-Biotin ...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Rattus norvegicus)	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at TrkA in rat DRG assessed as inhibition of NGF-induced ERK phosphorylation preincubated for 60 mins followed by NGF addition an...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at unphosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mi...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at phosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mins...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to C-terminal-His6/N-terminal BAP-tagged unphosphorylated TrkA (unknown origin) (441 to 796 residues) by SPR analysis				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280
					More data for this Ligand-Target Pair				3D Structure (crystal)