BDBM50236659 CHEMBL4096775

SMILES: [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCCc1ccccc1

InChI Key: InChIKey=OXVZGJIJDLNINF-JIGPFOKVSA-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 = 50236659   

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))	BDBM50236659 (CHEMBL4096775) 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)OCCCc1ccccc1 |r| Show InChI InChI=1S/C28H26ClN5O4S/c1-30-25-21-26(33-20(32-25)12-10-17-9-11-19(29)39-17)34(15-31-21)22-18-14-28(18,24(36)23(22)35)27(37)38-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9,11,15,18,22-24,35-36H,5,8,13-14H2,1H3,(H,30,32,33)/t18-,22-,23+,24+,28+/m1/s1	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	255	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))	BDBM50236659 (CHEMBL4096775) 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)OCCCc1ccccc1 |r| Show InChI InChI=1S/C28H26ClN5O4S/c1-30-25-21-26(33-20(32-25)12-10-17-9-11-19(29)39-17)34(15-31-21)22-18-14-28(18,24(36)23(22)35)27(37)38-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9,11,15,18,22-24,35-36H,5,8,13-14H2,1H3,(H,30,32,33)/t18-,22-,23+,24+,28+/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 Inhibit of purified bovine Farnesyl protein transferase.				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))	BDBM50236659 (CHEMBL4096775) 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)OCCCc1ccccc1 |r| Show InChI InChI=1S/C28H26ClN5O4S/c1-30-25-21-26(33-20(32-25)12-10-17-9-11-19(29)39-17)34(15-31-21)22-18-14-28(18,24(36)23(22)35)27(37)38-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9,11,15,18,22-24,35-36H,5,8,13-14H2,1H3,(H,30,32,33)/t18-,22-,23+,24+,28+/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 Binding affinity towards TP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs				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