BDBM305680 US10144734, Example 698::US10172845, Example 698::US10441581, Example 698::US10881652, Example 698

SMILES: Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12

InChI Key: InChIKey=MHCCJVBFENHNST-UHFFFAOYSA-N

Data: 12 IC50

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 = 305680   

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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting G81 OR mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays containe...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
RET Kinase (aa 658-1114) (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE-TK assay tech...				US Patent US10172845 (2019) BindingDB Entry DOI: 10.7270/Q2M90BR9
					More data for this Ligand-Target Pair
RET Kinase (V804M) (aa658-end) (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE-TK assay tech...				US Patent US10172845 (2019) BindingDB Entry DOI: 10.7270/Q2M90BR9
					More data for this Ligand-Target Pair
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description The potency of a compound inhibiting G81 OR mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays containe...				US Patent US10881652 (2021)
					More data for this Ligand-Target Pair
RET Kinase (V804M) (aa658-end) (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn...				US Patent US10441581 (2019) BindingDB Entry DOI: 10.7270/Q2DZ0BP3
					More data for this Ligand-Target Pair
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays contained...				US Patent US10441581 (2019) BindingDB Entry DOI: 10.7270/Q2DZ0BP3
					More data for this Ligand-Target Pair
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays contained...				US Patent US10441581 (2019) BindingDB Entry DOI: 10.7270/Q2DZ0BP3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description Wildtype and V804M mutant: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's ...				US Patent US10881652 (2021)
					More data for this Ligand-Target Pair
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description Wildtype and V804M mutant: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's ...				US Patent US10881652 (2021)
					More data for this Ligand-Target Pair
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays contained...				US Patent US10172845 (2019) BindingDB Entry DOI: 10.7270/Q2M90BR9
					More data for this Ligand-Target Pair