BDBM50236775 CHEMBL4105446

SMILES: [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCC1CCCCC1

InChI Key: InChIKey=BYQRLRSPSRAABY-SASJIJFGSA-N

Data: 3 KI

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 = 50236775   

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
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50236775 (CHEMBL4105446) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCC1CCCCC1 |r| Show InChI InChI=1S/C27H30ClN5O4S/c1-29-24-20-25(32-19(31-24)10-8-16-7-9-18(28)38-16)33(14-30-20)21-17-13-27(17,23(35)22(21)34)26(36)37-12-11-15-5-3-2-4-6-15/h7,9,14-15,17,21-23,34-35H,2-6,11-13H2,1H3,(H,29,31,32)/t17-,21-,22+,23+,27+/m1/s1	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50236775 (CHEMBL4105446) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCC1CCCCC1 |r| Show InChI InChI=1S/C27H30ClN5O4S/c1-29-24-20-25(32-19(31-24)10-8-16-7-9-18(28)38-16)33(14-30-20)21-17-13-27(17,23(35)22(21)34)26(36)37-12-11-15-5-3-2-4-6-15/h7,9,14-15,17,21-23,34-35H,2-6,11-13H2,1H3,(H,29,31,32)/t17-,21-,22+,23+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addi...				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50236775 (CHEMBL4105446) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCC1CCCCC1 |r| Show InChI InChI=1S/C27H30ClN5O4S/c1-29-24-20-25(32-19(31-24)10-8-16-7-9-18(28)38-16)33(14-30-20)21-17-13-27(17,23(35)22(21)34)26(36)37-12-11-15-5-3-2-4-6-15/h7,9,14-15,17,21-23,34-35H,2-6,11-13H2,1H3,(H,29,31,32)/t17-,21-,22+,23+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair