BDBM50538512 CHEMBL4638840

SMILES: COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CCN(C)CC3)nc12)-c1ccccc1

InChI Key: InChIKey=ZVVQDNWRXSSQDL-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50538512   

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
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET (Homo sapiens (Human))	BDBM50538512 (CHEMBL4638840) Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CCN(C)CC3)nc12)-c1ccccc1 Show InChI InChI=1S/C26H30N6O2/c1-31-13-11-19(12-14-31)29-25-23(17-7-5-4-6-8-17)24(27)32-26(30-25)20(16-28-32)18-9-10-21(33-2)22(15-18)34-3/h4-10,15-16,19H,11-14,27H2,1-3H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...				ACS Med Chem Lett 11: 558-565 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coiled-coil domain-containing protein 6 (Homo sapiens (Human))	BDBM50538512 (CHEMBL4638840) Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CCN(C)CC3)nc12)-c1ccccc1 Show InChI InChI=1S/C26H30N6O2/c1-31-13-11-19(12-14-31)29-25-23(17-7-5-4-6-8-17)24(27)32-26(30-25)20(16-28-32)18-9-10-21(33-2)22(15-18)34-3/h4-10,15-16,19H,11-14,27H2,1-3H3,(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CCDC6/RET (unknown origin) transfected in human LC2/ad cells assessed as reduction in cell viability incubated for 6 days by CellTiter ...				ACS Med Chem Lett 11: 558-565 (2020)
					More data for this Ligand-Target Pair
TEL/KDR (Homo sapiens (Human))	BDBM50538512 (CHEMBL4638840) Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CCN(C)CC3)nc12)-c1ccccc1 Show InChI InChI=1S/C26H30N6O2/c1-31-13-11-19(12-14-31)29-25-23(17-7-5-4-6-8-17)24(27)32-26(30-25)20(16-28-32)18-9-10-21(33-2)22(15-18)34-3/h4-10,15-16,19H,11-14,27H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luc...				ACS Med Chem Lett 11: 558-565 (2020)
					More data for this Ligand-Target Pair