BDBM50463507 CHEMBL4247751

SMILES: Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12

InChI Key: InChIKey=CNEUJSQUCXSRDD-UHFFFAOYSA-N

Data: 1 IC50  8 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 9 hits for monomerid = 50463507   

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
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK2 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to partial length human RAF1 (I330 to T640 residues) expressed in bacterial expression system by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK1 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to partial length human BRAF (S429 to E741 residues) expressed in mammalian expression system by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor-like kinase 3 (ALK-3) (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK3 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK4 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK5 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bone morphogenetic protein receptor type-1B (BMPR1B) aa 168-495 (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK6 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair