BDBM50285318 3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]pentylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide::CHEMBL17828

SMILES: NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1

InChI Key: InChIKey=FXKBWZCJAKRZGY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50285318   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50285318 (3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...) Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:27,t:10| Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	47.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit Serotonin transporter				Bioorg Med Chem Lett 5: 123-126 (1995) Article DOI: 10.1016/0960-894X(94)00470-Z BindingDB Entry DOI: 10.7270/Q2KP824F
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50285318 (3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...) Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:27,t:10| Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1E receptor subtype				Bioorg Med Chem Lett 5: 123-126 (1995) Article DOI: 10.1016/0960-894X(94)00470-Z BindingDB Entry DOI: 10.7270/Q2KP824F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50285318 (3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...) Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:27,t:10| Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.86	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype				Bioorg Med Chem Lett 5: 123-126 (1995) Article DOI: 10.1016/0960-894X(94)00470-Z BindingDB Entry DOI: 10.7270/Q2KP824F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50285318 (3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...) Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:27,t:10| Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype				Bioorg Med Chem Lett 5: 123-126 (1995) Article DOI: 10.1016/0960-894X(94)00470-Z BindingDB Entry DOI: 10.7270/Q2KP824F
					More data for this Ligand-Target Pair