BDBM102618 LDN-212854

SMILES: C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

InChI Key: InChIKey=BBDGBGOVJPEFBT-UHFFFAOYSA-N

Data: 15 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 15 hits for monomerid = 102618   

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
ALK1 (Mus musculus)	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology									ACS Chem Biol 8: 1291-302 (2013) Article DOI: 10.1021/cb300655w BindingDB Entry DOI: 10.7270/Q2ZW1JKW
					More data for this Ligand-Target Pair
Bone morphogenetic protein 4 (Mus musculus)	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of BMP4 in mouse C2C12BRA cells after 14 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair
ALK3 (Mus musculus)	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	85.8	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology									ACS Chem Biol 8: 1291-302 (2013) Article DOI: 10.1021/cb300655w BindingDB Entry DOI: 10.7270/Q2ZW1JKW
					More data for this Ligand-Target Pair
ALK4 (Mus musculus)	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology									ACS Chem Biol 8: 1291-302 (2013) Article DOI: 10.1021/cb300655w BindingDB Entry DOI: 10.7270/Q2ZW1JKW
					More data for this Ligand-Target Pair
ALK5 (Mus musculus)	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology									ACS Chem Biol 8: 1291-302 (2013) Article DOI: 10.1021/cb300655w BindingDB Entry DOI: 10.7270/Q2ZW1JKW
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B) aa 168-495 (Homo sapiens (Human))	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of ALK6 (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of ALK2 (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of ALK1 (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of ALK4 (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1 (Homo sapiens (Human))	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of AMPK (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-2 (Homo sapiens (Human))	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	695	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of BMPR2 (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair
Activin receptor-like kinase 3 (ALK-3) (Homo sapiens (Human))	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	539	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of ALK3 (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair
TGF-beta receptor type II (Homo sapiens (Human))	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of TGFBR2 (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair
ALK2 (Mus musculus)	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology									ACS Chem Biol 8: 1291-302 (2013) Article DOI: 10.1021/cb300655w BindingDB Entry DOI: 10.7270/Q2ZW1JKW
					More data for this Ligand-Target Pair				3D Structure (crystal)