BDBM161910 US10017516, Compound 42::US9682983, 42

SMILES: C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

InChI Key: InChIKey=QNXUBBYNLLCNPH-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 161910   

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
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM161910 (US10017516, Compound 42 | US9682983, 42) Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-24(22)5-1)23-17-31-33-18-20(16-30-26(23)33)19-6-7-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	401	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM161910 (US10017516, Compound 42 | US9682983, 42) Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-24(22)5-1)23-17-31-33-18-20(16-30-26(23)33)19-6-7-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM161910 (US10017516, Compound 42 | US9682983, 42) Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-24(22)5-1)23-17-31-33-18-20(16-30-26(23)33)19-6-7-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (Homo sapiens (Human))	BDBM161910 (US10017516, Compound 42 | US9682983, 42) Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-24(22)5-1)23-17-31-33-18-20(16-30-26(23)33)19-6-7-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Brigham and Women's Hospital, Inc. US Patent					Assay Description Compounds were assessed in ALK1-6 enzymatic assays. Specifically, compounds were assayed using LANCE® Ultra ULight technology (Perkin Elmer) against ...				US Patent US10017516 (2018) BindingDB Entry DOI: 10.7270/Q20P12CN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (ALK1) (Homo sapiens (Human))	BDBM161910 (US10017516, Compound 42 | US9682983, 42) Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-24(22)5-1)23-17-31-33-18-20(16-30-26(23)33)19-6-7-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	401	n/a	n/a	n/a	n/a	n/a	n/a
The Brigham and Women's Hospital, Inc. US Patent					Assay Description Compounds were assessed in ALK1-6 enzymatic assays. Specifically, compounds were assayed using LANCE® Ultra ULight technology (Perkin Elmer) against ...				US Patent US10017516 (2018) BindingDB Entry DOI: 10.7270/Q20P12CN
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM161910 (US10017516, Compound 42 | US9682983, 42) Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-24(22)5-1)23-17-31-33-18-20(16-30-26(23)33)19-6-7-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The Brigham and Women's Hospital, Inc. US Patent					Assay Description Compounds were assessed in ALK1-6 enzymatic assays. Specifically, compounds were assayed using LANCE® Ultra ULight technology (Perkin Elmer) against ...				US Patent US10017516 (2018) BindingDB Entry DOI: 10.7270/Q20P12CN
					More data for this Ligand-Target Pair
Activin receptor type-1B/Activin receptor-like kinase 4 (ALK-4) (Homo sapiens (Human))	BDBM161910 (US10017516, Compound 42 | US9682983, 42) Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-24(22)5-1)23-17-31-33-18-20(16-30-26(23)33)19-6-7-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Brigham and Women's Hospital, Inc. US Patent					Assay Description Compounds were assessed in ALK1-6 enzymatic assays. Specifically, compounds were assayed using LANCE® Ultra ULight technology (Perkin Elmer) against ...				US Patent US10017516 (2018) BindingDB Entry DOI: 10.7270/Q20P12CN
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (Homo sapiens (Human))	BDBM161910 (US10017516, Compound 42 | US9682983, 42) Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-24(22)5-1)23-17-31-33-18-20(16-30-26(23)33)19-6-7-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair