BDBM50091508 CHEMBL3582343

SMILES: CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(O)=O)c(=O)o1

InChI Key: InChIKey=YJQCOFNZVFGCAF-JWVDASGKSA-N

Data: 3 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 3 hits for monomerid = 50091508   

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
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50091508 (CHEMBL3582343) Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(O)=O)c(=O)o1 |r| Show InChI InChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11-/t20?,21-,22+,25+,26-,27+,28+,29+,30-,31+,32-,33?,34-,35+,36+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay				ACS Med Chem Lett 6: 513-7 (2015) Article DOI: 10.1021/ml500514w BindingDB Entry DOI: 10.7270/Q2M61N0H
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50091508 (CHEMBL3582343) Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(O)=O)c(=O)o1 |r| Show InChI InChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11-/t20?,21-,22+,25+,26-,27+,28+,29+,30-,31+,32-,33?,34-,35+,36+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence o...				ACS Med Chem Lett 6: 513-7 (2015) Article DOI: 10.1021/ml500514w BindingDB Entry DOI: 10.7270/Q2M61N0H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50091508 (CHEMBL3582343) Show SMILES CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(O)=O)c(=O)o1 |r| Show InChI InChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11-/t20?,21-,22+,25+,26-,27+,28+,29+,30-,31+,32-,33?,34-,35+,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK499 binding to human ERG				ACS Med Chem Lett 6: 513-7 (2015) Article DOI: 10.1021/ml500514w BindingDB Entry DOI: 10.7270/Q2M61N0H
					More data for this Ligand-Target Pair